(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C14H27ClN2O2 — CID 119321499

IUPAC(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCCCOC1CCCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-2-11-18-12-5-4-9-16(10-7-12)14(17)13-6-3-8-15-13;/h12-13,15H,2-11H2,1H3;1H
InChIKeyWCRCOOACPWQAPN-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.97
Rot. Bonds4

About (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119321499) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119321499
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCCCOC1CCCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-2-11-18-12-5-4-9-16(10-7-12)14(17)13-6-3-8-15-13;/h12-13,15H,2-11H2,1H3;1H
InChIKeyWCRCOOACPWQAPN-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride 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

[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119149844
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
(3-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62340471
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195

Frequently Asked Questions

What is the IUPAC name of (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 119321499) is (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is CCCOC1CCCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is WCRCOOACPWQAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-2-11-18-12-5-4-9-16(10-7-12)14(17)13-6-3-8-15-13;/h12-13,15H,2-11H2,1H3;1H.
What are the key properties of (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119321499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).