1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

C19H27N3O2 — CID 99817673

IUPAC1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-13-9-15(10-14-21)18(23)20-17-8-4-3-7-16(17)19(24)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,23)
InChIKeyWZXNKASIZRFAMW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.59
Rot. Bonds3

About 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 99817673) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID99817673
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-13-9-15(10-14-21)18(23)20-17-8-4-3-7-16(17)19(24)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,23)
InChIKeyWZXNKASIZRFAMW-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-[2-(azepane-1-carbonyl)phenyl]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 38099889
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46543754

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 99817673) is 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is WZXNKASIZRFAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-13-9-15(10-14-21)18(23)20-17-8-4-3-7-16(17)19(24)22-11-5-2-6-12-22/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,23).
What are the key properties of 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 99817673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).