methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate

C15H21N3O3 — CID 106739126

IUPACmethyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C2CCNC(C)C2)cc1
InChIInChI=1S/C15H21N3O3/c1-10-9-11(7-8-16-10)14(19)17-12-3-5-13(6-4-12)18-15(20)21-2/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDJQOBOCCAWFNQM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.19
Rot. Bonds3

About methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate

methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate (PubChem CID 106739126) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
PubChem CID106739126
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C2CCNC(C)C2)cc1
InChIInChI=1S/C15H21N3O3/c1-10-9-11(7-8-16-10)14(19)17-12-3-5-13(6-4-12)18-15(20)21-2/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDJQOBOCCAWFNQM-UHFFFAOYSA-N
XLogP2.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate (CID 106739126) is methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)C2CCNC(C)C2)cc1.
What is the InChIKey of methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate?
The InChIKey is DJQOBOCCAWFNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-9-11(7-8-16-10)14(19)17-12-3-5-13(6-4-12)18-15(20)21-2/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate?
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 106739126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).