methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate

C14H19N3O3 — CID 103809256

IUPACmethyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)17-11-6-4-5-10(9-11)16-13(18)12-7-2-3-8-15-12/h4-6,9,12,15H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyVGQDTJAATIIGCP-LBPRGKRZSA-N
MW277.32 g/mol
LogP1.95
Rot. Bonds3

About methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate

methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate (PubChem CID 103809256) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
PubChem CID103809256
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)17-11-6-4-5-10(9-11)16-13(18)12-7-2-3-8-15-12/h4-6,9,12,15H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyVGQDTJAATIIGCP-LBPRGKRZSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
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(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
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N-(3-bromophenyl)piperidine-2-carboxamide
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(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
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N-(3-aminophenyl)pyrrolidine-2-carboxamide
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3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate (CID 103809256) is methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2)c1.
What is the InChIKey of methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate?
The InChIKey is VGQDTJAATIIGCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-14(19)17-11-6-4-5-10(9-11)16-13(18)12-7-2-3-8-15-12/h4-6,9,12,15H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate?
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 103809256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).