N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide

C14H27N3O — CID 119831281

IUPACN-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCNC1
InChIInChI=1S/C14H27N3O/c18-14(13-6-8-15-12-13)16-7-5-11-17-9-3-1-2-4-10-17/h13,15H,1-12H2,(H,16,18)
InChIKeyLSHYAFHJVOQLDY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide

N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 119831281) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID119831281
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCNC1
InChIInChI=1S/C14H27N3O/c18-14(13-6-8-15-12-13)16-7-5-11-17-9-3-1-2-4-10-17/h13,15H,1-12H2,(H,16,18)
InChIKeyLSHYAFHJVOQLDY-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
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

(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide (CID 119831281) is N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide is O=C(NCCCN1CCCCCC1)C1CCNC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is LSHYAFHJVOQLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14(13-6-8-15-12-13)16-7-5-11-17-9-3-1-2-4-10-17/h13,15H,1-12H2,(H,16,18).
What are the key properties of N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide?
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119831281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).