(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C26H32N4O3 — CID 124999862

IUPAC(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C26H32N4O3/c1-25(13-17-29(18-14-25)22(31)20-9-4-3-5-10-20)24(33)30-16-8-12-26(19-30,23(32)27-2)21-11-6-7-15-28-21/h3-7,9-11,15H,8,12-14,16-19H2,1-2H3,(H,27,32)/t26-/m1/s1
InChIKeyRRTZJNPFNWLFGP-AREMUKBSSA-N
MW448.57 g/mol
LogP2.63
Rot. Bonds4

About (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124999862) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124999862
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C26H32N4O3/c1-25(13-17-29(18-14-25)22(31)20-9-4-3-5-10-20)24(33)30-16-8-12-26(19-30,23(32)27-2)21-11-6-7-15-28-21/h3-7,9-11,15H,8,12-14,16-19H2,1-2H3,(H,27,32)/t26-/m1/s1
InChIKeyRRTZJNPFNWLFGP-AREMUKBSSA-N
XLogP2.63
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124950671
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149427
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110148571
(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125003814
(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125004681
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
(3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124987137
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124999862) is (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is RRTZJNPFNWLFGP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-25(13-17-29(18-14-25)22(31)20-9-4-3-5-10-20)24(33)30-16-8-12-26(19-30,23(32)27-2)21-11-6-7-15-28-21/h3-7,9-11,15H,8,12-14,16-19H2,1-2H3,(H,27,32)/t26-/m1/s1.
What are the key properties of (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).