2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide

C13H25N3O — CID 119450526

IUPAC2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCNC1)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c1-11(16-8-4-2-3-5-9-16)13(17)15-12-6-7-14-10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyHFSXAIFPNUDEKD-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds3

About 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide

2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119450526) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
PubChem CID119450526
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCNC1)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c1-11(16-8-4-2-3-5-9-16)13(17)15-12-6-7-14-10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyHFSXAIFPNUDEKD-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide (CID 119450526) is 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide is CC(C(=O)NC1CCNC1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is HFSXAIFPNUDEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(16-8-4-2-3-5-9-16)13(17)15-12-6-7-14-10-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide?
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119450526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).