1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide

C22H27N3O2 — CID 126471945

IUPAC1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C(c2ccccc2)c2ncccc2C)CC1
InChIInChI=1S/C22H27N3O2/c1-16-8-7-13-23-20(16)21(18-9-5-4-6-10-18)24(3)22(27)19-11-14-25(15-12-19)17(2)26/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyFJKZXAYZGUBKDS-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.20
Rot. Bonds4

About 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide

1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 126471945) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID126471945
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C(c2ccccc2)c2ncccc2C)CC1
InChIInChI=1S/C22H27N3O2/c1-16-8-7-13-23-20(16)21(18-9-5-4-6-10-18)24(3)22(27)19-11-14-25(15-12-19)17(2)26/h4-10,13,19,21H,11-12,14-15H2,1-3H3
InChIKeyFJKZXAYZGUBKDS-UHFFFAOYSA-N
XLogP3.20
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474402
1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 126473035
1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 129316243
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126473277
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
CID 5161805
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5091843
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 126471519
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474502
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 126471693

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (CID 126471945) is 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)C(c2ccccc2)c2ncccc2C)CC1.
What is the InChIKey of 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is FJKZXAYZGUBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-8-7-13-23-20(16)21(18-9-5-4-6-10-18)24(3)22(27)19-11-14-25(15-12-19)17(2)26/h4-10,13,19,21H,11-12,14-15H2,1-3H3.
What are the key properties of 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126471945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).