N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide

C15H29N3O — CID 115583840

IUPACN-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O/c1-14(13-17-9-5-4-6-10-17)16-15(19)18-11-7-2-3-8-12-18/h14H,2-13H2,1H3,(H,16,19)
InChIKeyPPXPBVCLOPHPTN-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.45
Rot. Bonds3

About N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide

N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide (PubChem CID 115583840) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
PubChem CID115583840
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O/c1-14(13-17-9-5-4-6-10-17)16-15(19)18-11-7-2-3-8-12-18/h14H,2-13H2,1H3,(H,16,19)
InChIKeyPPXPBVCLOPHPTN-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
N-[1-(azepan-1-yl)propan-2-yl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144357
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 78892011
3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136898

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide (CID 115583840) is N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide is CC(CN1CCCCC1)NC(=O)N1CCCCCC1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide?
The InChIKey is PPXPBVCLOPHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(13-17-9-5-4-6-10-17)16-15(19)18-11-7-2-3-8-12-18/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide?
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 115583840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).