1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

C22H26FN3O2 — CID 126473035

IUPAC1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C(c2ccc(F)cc2)c2ncccc2C)CC1
InChIInChI=1S/C22H26FN3O2/c1-15-5-4-12-24-20(15)21(17-6-8-19(23)9-7-17)25(3)22(28)18-10-13-26(14-11-18)16(2)27/h4-9,12,18,21H,10-11,13-14H2,1-3H3
InChIKeyQDPPVFOZZDSTJK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.34
Rot. Bonds4

About 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 126473035) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID126473035
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C(c2ccc(F)cc2)c2ncccc2C)CC1
InChIInChI=1S/C22H26FN3O2/c1-15-5-4-12-24-20(15)21(17-6-8-19(23)9-7-17)25(3)22(28)18-10-13-26(14-11-18)16(2)27/h4-9,12,18,21H,10-11,13-14H2,1-3H3
InChIKeyQDPPVFOZZDSTJK-UHFFFAOYSA-N
XLogP3.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126471945
1-(cyclopropanecarbonyl)-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474402
1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 129316243
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 126471519
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 34152158
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-N-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 126474628
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-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 111109352
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3671647

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (CID 126473035) is 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)C(c2ccc(F)cc2)c2ncccc2C)CC1.
What is the InChIKey of 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QDPPVFOZZDSTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15-5-4-12-24-20(15)21(17-6-8-19(23)9-7-17)25(3)22(28)18-10-13-26(14-11-18)16(2)27/h4-9,12,18,21H,10-11,13-14H2,1-3H3.
What are the key properties of 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 126473035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).