1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide

C25H32N4O2 — CID 138996186

IUPAC1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3ccc(N4CCCCC4)nc3)C2)c1
InChIInChI=1S/C25H32N4O2/c1-18-13-19(2)15-21(14-18)25(31)29-12-6-7-20(17-29)24(30)27-22-8-9-23(26-16-22)28-10-4-3-5-11-28/h8-9,13-16,20H,3-7,10-12,17H2,1-2H3,(H,27,30)
InChIKeySCSBDRROWDVWGV-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.18
Rot. Bonds4

About 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 138996186) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID138996186
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3ccc(N4CCCCC4)nc3)C2)c1
InChIInChI=1S/C25H32N4O2/c1-18-13-19(2)15-21(14-18)25(31)29-12-6-7-20(17-29)24(30)27-22-8-9-23(26-16-22)28-10-4-3-5-11-28/h8-9,13-16,20H,3-7,10-12,17H2,1-2H3,(H,27,30)
InChIKeySCSBDRROWDVWGV-UHFFFAOYSA-N
XLogP4.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 16613341
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
S-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544317
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55791220
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide (CID 138996186) is 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3ccc(N4CCCCC4)nc3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is SCSBDRROWDVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-13-19(2)15-21(14-18)25(31)29-12-6-7-20(17-29)24(30)27-22-8-9-23(26-16-22)28-10-4-3-5-11-28/h8-9,13-16,20H,3-7,10-12,17H2,1-2H3,(H,27,30).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 138996186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).