N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide

C20H25N3O — CID 45230724

IUPACN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c1-22(20(24)18-9-12-21-13-10-18)19-8-5-14-23(16-19)15-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19H,5,8,11,14-16H2,1H3
InChIKeyCBBAQHWMRCMQFL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.86
Rot. Bonds5

About N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide

N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 45230724) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
PubChem CID45230724
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c1-22(20(24)18-9-12-21-13-10-18)19-8-5-14-23(16-19)15-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19H,5,8,11,14-16H2,1H3
InChIKeyCBBAQHWMRCMQFL-UHFFFAOYSA-N
XLogP2.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 45229832
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45183595
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide (CID 45230724) is N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide is CN(C(=O)c1ccncc1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is CBBAQHWMRCMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(20(24)18-9-12-21-13-10-18)19-8-5-14-23(16-19)15-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,19H,5,8,11,14-16H2,1H3.
What are the key properties of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 45230724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).