tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate

C33H48N4O6 — CID 70180943

IUPACtert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)C(CCCc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C33H48N4O6/c1-33(2,3)43-32(41)36-19-16-23(17-20-36)14-15-29(38)37-18-8-10-25(22-37)30(39)35-28(31(40)42-4)13-7-9-24-21-34-27-12-6-5-11-26(24)27/h5-6,11-12,21,23,25,28,34H,7-10,13-20,22H2,1-4H3,(H,35,39)/t25-,28?/m1/s1
InChIKeyJLMIDNJDDFZMKP-RXVAYIKUSA-N
MW596.77 g/mol
LogP4.81
Rot. Bonds10

About tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate

tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate (PubChem CID 70180943) has the molecular formula C33H48N4O6 and a molecular weight of 596.77 g/mol. Its IUPAC name is tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
PubChem CID70180943
Molecular FormulaC33H48N4O6
Molecular Weight596.77 g/mol
Exact Mass596.36
IUPAC Nametert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)C(CCCc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C33H48N4O6/c1-33(2,3)43-32(41)36-19-16-23(17-20-36)14-15-29(38)37-18-8-10-25(22-37)30(39)35-28(31(40)42-4)13-7-9-24-21-34-27-12-6-5-11-26(24)27/h5-6,11-12,21,23,25,28,34H,7-10,13-20,22H2,1-4H3,(H,35,39)/t25-,28?/m1/s1
InChIKeyJLMIDNJDDFZMKP-RXVAYIKUSA-N
XLogP4.81
TPSA121.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.77
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]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

tert-butyl 4-[3-[(3R)-3-[[(2S)-1-ethoxy-1-oxo-5-phenylpentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70112503
tert-butyl 4-[3-[(3R)-3-[(1-ethoxy-1-oxo-5-phenylpentan-3-yl)carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70112500
(2R)-4-(2-methoxyphenyl)-2-[[[(3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carbonyl]amino]methyl]butanoic acid
CID 70110003
(3R)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816516
(3S)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816519
tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 101439832
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 119201566
tert-butyl 4-[3-[3-[[1-(4-hydroxyphenyl)-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 78055565
tert-butyl 4-[3-[(3R)-3-[[(1S)-1-(benzenesulfonamido)-3-ethoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 18734803
tert-butyl 4-[3-[(3R)-3-[[1-(benzenesulfonyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70109257
tert-butyl 4-[3-[(3R)-3-[[(2S)-1-ethoxy-3-(3-methyl-1,2-oxazol-5-yl)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70094440
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate (CID 70180943) is tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate is COC(=O)C(CCCc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate?
The InChIKey is JLMIDNJDDFZMKP-RXVAYIKUSA-N. The full InChI is InChI=1S/C33H48N4O6/c1-33(2,3)43-32(41)36-19-16-23(17-20-36)14-15-29(38)37-18-8-10-25(22-37)30(39)35-28(31(40)42-4)13-7-9-24-21-34-27-12-6-5-11-26(24)27/h5-6,11-12,21,23,25,28,34H,7-10,13-20,22H2,1-4H3,(H,35,39)/t25-,28?/m1/s1.
What are the key properties of tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate?
tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate has a molecular weight of 596.77 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(3R)-3-[[5-(1H-indol-3-yl)-1-methoxy-1-oxopentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 70180943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).