N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide

C21H31N3O2 — CID 119286388

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)C1CCCNC1
InChIInChI=1S/C21H31N3O2/c1-14-9-15(2)13-24(12-14)21(26)17-7-6-16(3)19(10-17)23-20(25)18-5-4-8-22-11-18/h6-7,10,14-15,18,22H,4-5,8-9,11-13H2,1-3H3,(H,23,25)
InChIKeyYFXNOYLVMKNPDW-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.05
Rot. Bonds3

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide (PubChem CID 119286388) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
PubChem CID119286388
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)C1CCCNC1
InChIInChI=1S/C21H31N3O2/c1-14-9-15(2)13-24(12-14)21(26)17-7-6-16(3)19(10-17)23-20(25)18-5-4-8-22-11-18/h6-7,10,14-15,18,22H,4-5,8-9,11-13H2,1-3H3,(H,23,25)
InChIKeyYFXNOYLVMKNPDW-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55895249
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
(2S,4S)-2-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120634574
4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
CID 107265228
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide (CID 119286388) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)C1CCCNC1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide?
The InChIKey is YFXNOYLVMKNPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-9-15(2)13-24(12-14)21(26)17-7-6-16(3)19(10-17)23-20(25)18-5-4-8-22-11-18/h6-7,10,14-15,18,22H,4-5,8-9,11-13H2,1-3H3,(H,23,25).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119286388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).