methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate

C18H26N2O3 — CID 95967789

IUPACmethyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-14(11-17(21)23-2)19-18(22)16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyWTEKPWUHOJTPBI-GDBMZVCRSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds6

About methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate

methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate (PubChem CID 95967789) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
PubChem CID95967789
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
SMILESCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-14(11-17(21)23-2)19-18(22)16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyWTEKPWUHOJTPBI-GDBMZVCRSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46773192
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate?
The IUPAC name of methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate (CID 95967789) is methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate.
What is the SMILES notation for methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate?
The canonical SMILES for methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate is COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate?
The InChIKey is WTEKPWUHOJTPBI-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(11-17(21)23-2)19-18(22)16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)/t14-,16-/m1/s1.
What are the key properties of methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate?
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate has a molecular weight of 318.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate is sourced from PubChem (CID 95967789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).