tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate

C38H47N5O6 — CID 175710868

IUPACtert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C38H47N5O6/c1-23-16-17-27(22-30(23)34(45)40-24(2)28-14-10-12-25-11-6-7-13-29(25)28)41-35(46)31(21-26-18-19-39-33(26)44)42-36(47)32-15-8-9-20-43(32)37(48)49-38(3,4)5/h6-7,10-14,16-17,22,24,26,31-32H,8-9,15,18-21H2,1-5H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47)/t24-,26+,31+,32-/m1/s1
InChIKeyOZDXEGICTBMHIZ-HCTNYXOCSA-N
MW669.82 g/mol
LogP5.38
Rot. Bonds9

About tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 175710868) has the molecular formula C38H47N5O6 and a molecular weight of 669.82 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID175710868
Molecular FormulaC38H47N5O6
Molecular Weight669.82 g/mol
Exact Mass669.35
IUPAC Nametert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C38H47N5O6/c1-23-16-17-27(22-30(23)34(45)40-24(2)28-14-10-12-25-11-6-7-13-29(25)28)41-35(46)31(21-26-18-19-39-33(26)44)42-36(47)32-15-8-9-20-43(32)37(48)49-38(3,4)5/h6-7,10-14,16-17,22,24,26,31-32H,8-9,15,18-21H2,1-5H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47)/t24-,26+,31+,32-/m1/s1
InChIKeyOZDXEGICTBMHIZ-HCTNYXOCSA-N
XLogP5.38
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.82
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175710897
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide
CID 163231794
tert-butyl 4-[4-methyl-3-(1-naphthalen-1-ylethylcarbamoyl)anilino]piperidine-1-carboxylate
CID 164866070
(2S)-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 175710910
N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175710913
2-methyl-5-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231716
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801
5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
tert-butyl (2S)-4-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]-2-propan-2-ylpiperazine-1-carboxylate;2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-[(3S)-3-propan-2-ylpiperazin-1-yl]benzamide
CID 175823287
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231625
5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 171503040

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate (CID 175710868) is tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate is Cc1ccc(NC(=O)[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is OZDXEGICTBMHIZ-HCTNYXOCSA-N. The full InChI is InChI=1S/C38H47N5O6/c1-23-16-17-27(22-30(23)34(45)40-24(2)28-14-10-12-25-11-6-7-13-29(25)28)41-35(46)31(21-26-18-19-39-33(26)44)42-36(47)32-15-8-9-20-43(32)37(48)49-38(3,4)5/h6-7,10-14,16-17,22,24,26,31-32H,8-9,15,18-21H2,1-5H3,(H,39,44)(H,40,45)(H,41,46)(H,42,47)/t24-,26+,31+,32-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 669.82 g/mol, XLogP of 5.38, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(2S)-1-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]anilino]-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 175710868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).