N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide

C15H27N3O2 — CID 119270399

IUPACN-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)C1CCNCC1
InChIInChI=1S/C15H27N3O2/c19-14-5-2-1-3-11-18(14)12-4-8-17-15(20)13-6-9-16-10-7-13/h13,16H,1-12H2,(H,17,20)
InChIKeyZTSKKYZSMGRRBX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds5

About N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide

N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 119270399) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
PubChem CID119270399
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)C1CCNCC1
InChIInChI=1S/C15H27N3O2/c19-14-5-2-1-3-11-18(14)12-4-8-17-15(20)13-6-9-16-10-7-13/h13,16H,1-12H2,(H,17,20)
InChIKeyZTSKKYZSMGRRBX-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
3,5-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]adamantane-1-carboxamide
CID 112767661
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270388
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[4-(13,21-dioxo-1,5-diazacyclohenicos-1-yl)butyl]acetamide
CID 162874542
2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393442
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide (CID 119270399) is N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide is O=C(NCCCN1CCCCCC1=O)C1CCNCC1.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is ZTSKKYZSMGRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-14-5-2-1-3-11-18(14)12-4-8-17-15(20)13-6-9-16-10-7-13/h13,16H,1-12H2,(H,17,20).
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide?
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 119270399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).