N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide

C20H29N3O2 — CID 99970642

IUPACN-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-22-14-10-16(11-15-22)19(24)21-18-9-5-4-8-17(18)20(25)23-12-6-2-3-7-13-23/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,21,24)
InChIKeyFPZQVGUSGTZMTI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds3

About N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide

N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide (PubChem CID 99970642) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
PubChem CID99970642
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-22-14-10-16(11-15-22)19(24)21-18-9-5-4-8-17(18)20(25)23-12-6-2-3-7-13-23/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,21,24)
InChIKeyFPZQVGUSGTZMTI-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
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 N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide (CID 99970642) is N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is FPZQVGUSGTZMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22-14-10-16(11-15-22)19(24)21-18-9-5-4-8-17(18)20(25)23-12-6-2-3-7-13-23/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide?
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 99970642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).