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

C27H29N3O3 — CID 126473277

IUPAC1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C(=O)NC(c2ccccc2)c2ncccc2C)CC1
InChIInChI=1S/C27H29N3O3/c1-19-9-8-16-28-24(19)25(20-10-4-3-5-11-20)29-26(31)21-14-17-30(18-15-21)27(32)22-12-6-7-13-23(22)33-2/h3-13,16,21,25H,14-15,17-18H2,1-2H3,(H,29,31)
InChIKeyGJRVCGWJEJBKHD-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.16
Rot. Bonds6

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

1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 126473277) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID126473277
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C(=O)NC(c2ccccc2)c2ncccc2C)CC1
InChIInChI=1S/C27H29N3O3/c1-19-9-8-16-28-24(19)25(20-10-4-3-5-11-20)29-26(31)21-14-17-30(18-15-21)27(32)22-12-6-7-13-23(22)33-2/h3-13,16,21,25H,14-15,17-18H2,1-2H3,(H,29,31)
InChIKeyGJRVCGWJEJBKHD-UHFFFAOYSA-N
XLogP4.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474502
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 126471693
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 126475356
1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
CID 56518904
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (CID 126473277) is 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is COc1ccccc1C(=O)N1CCC(C(=O)NC(c2ccccc2)c2ncccc2C)CC1.
What is the InChIKey of 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is GJRVCGWJEJBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-9-8-16-28-24(19)25(20-10-4-3-5-11-20)29-26(31)21-14-17-30(18-15-21)27(32)22-12-6-7-13-23(22)33-2/h3-13,16,21,25H,14-15,17-18H2,1-2H3,(H,29,31).
What are the key properties of 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126473277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).