azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone

C14H26N2O — CID 116657830

IUPACazepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H26N2O/c1-2-7-13-8-11-16(12-13)14(17)15-9-5-3-4-6-10-15/h13H,2-12H2,1H3
InChIKeyJRNCHJAVPSYEAI-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.10
Rot. Bonds2

About azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone

azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 116657830) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
PubChem CID116657830
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameazepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H26N2O/c1-2-7-13-8-11-16(12-13)14(17)15-9-5-3-4-6-10-15/h13H,2-12H2,1H3
InChIKeyJRNCHJAVPSYEAI-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 113418347
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
azetidin-1-yl-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
CID 164775434
3-propylpiperidine-1-carboxamide
CID 18466872
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone (CID 116657830) is azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is JRNCHJAVPSYEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-7-13-8-11-16(12-13)14(17)15-9-5-3-4-6-10-15/h13H,2-12H2,1H3.
What are the key properties of azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone?
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116657830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).