methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate

C19H28N2O3 — CID 94812309

IUPACmethyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)C[C@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(8-9-16-6-4-3-5-7-16)14-18(22)20-17-10-12-21(13-11-17)19(23)24-2/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyGIEVLDNJOGXLQN-OAHLLOKOSA-N
MW332.44 g/mol
LogP2.99
Rot. Bonds6

About methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate

methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate (PubChem CID 94812309) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate
PubChem CID94812309
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)C[C@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(8-9-16-6-4-3-5-7-16)14-18(22)20-17-10-12-21(13-11-17)19(23)24-2/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyGIEVLDNJOGXLQN-OAHLLOKOSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
CID 94823413
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
methyl 4-[4-(2-fluorophenyl)butan-2-ylamino]piperidine-1-carboxylate
CID 86779454
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
CID 86866312
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate (CID 94812309) is methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)C[C@H](C)CCc2ccccc2)CC1.
What is the InChIKey of methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate?
The InChIKey is GIEVLDNJOGXLQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(8-9-16-6-4-3-5-7-16)14-18(22)20-17-10-12-21(13-11-17)19(23)24-2/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate?
methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 94812309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).