N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide

C18H21N3O2 — CID 2893617

IUPACN-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-16-9-7-15(8-10-16)20-18(22)21-12-3-2-6-17(21)14-5-4-11-19-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,20,22)
InChIKeyZTRMVJPPXCQOEA-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.85
Rot. Bonds3

About N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide

N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 2893617) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID2893617
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-16-9-7-15(8-10-16)20-18(22)21-12-3-2-6-17(21)14-5-4-11-19-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,20,22)
InChIKeyZTRMVJPPXCQOEA-UHFFFAOYSA-N
XLogP3.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ro 24-0238
CID 6439060
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
6-Methoxy-4-pyridin-2-ylethynyl-4-trifluoromethyl-3,4-dihydro-1H-quinazolin-2-one
CID 478294
Rho-Kinase-IN-2
CID 155749520
4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 155749636
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
1-(1-Isonicotinoylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44468933
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide (CID 2893617) is N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCCC2c2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is ZTRMVJPPXCQOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-9-7-15(8-10-16)20-18(22)21-12-3-2-6-17(21)14-5-4-11-19-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide?
N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 2893617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).