N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide

C16H23N3O — CID 23140153

IUPACN-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C16H23N3O/c1-13-7-3-4-8-15(13)17-16(20)19-11-14(12-19)18-9-5-2-6-10-18/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,17,20)
InChIKeyDYONAFAYPNGFKM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.70
Rot. Bonds2

About N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide

N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide (PubChem CID 23140153) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
PubChem CID23140153
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C16H23N3O/c1-13-7-3-4-8-15(13)17-16(20)19-11-14(12-19)18-9-5-2-6-10-18/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,17,20)
InChIKeyDYONAFAYPNGFKM-UHFFFAOYSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 169493392
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
1-[1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclohexyl]-3-(2-methylphenyl)urea
CID 1444537

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide (CID 23140153) is N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide is Cc1ccccc1NC(=O)N1CC(N2CCCCC2)C1.
What is the InChIKey of N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide?
The InChIKey is DYONAFAYPNGFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-7-3-4-8-15(13)17-16(20)19-11-14(12-19)18-9-5-2-6-10-18/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,17,20).
What are the key properties of N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide?
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 23140153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).