2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride

C18H32ClN3O2 — CID 119282220

IUPAC2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)N1CCCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C18H31N3O2.ClH/c22-17(13-15-5-1-2-6-15)20-9-4-10-21(12-11-20)18(23)16-7-3-8-19-14-16;/h15-16,19H,1-14H2;1H
InChIKeyYVQWUQBAYHJWNG-UHFFFAOYSA-N
MW357.93 g/mol
LogP2.05
Rot. Bonds3

About 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride

2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride (PubChem CID 119282220) has the molecular formula C18H32ClN3O2 and a molecular weight of 357.93 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
PubChem CID119282220
Molecular FormulaC18H32ClN3O2
Molecular Weight357.93 g/mol
Exact Mass357.22
IUPAC Name2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)N1CCCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C18H31N3O2.ClH/c22-17(13-15-5-1-2-6-15)20-9-4-10-21(12-11-20)18(23)16-7-3-8-19-14-16;/h15-16,19H,1-14H2;1H
InChIKeyYVQWUQBAYHJWNG-UHFFFAOYSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119871577
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride (CID 119282220) is 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride is Cl.O=C(CC1CCCC1)N1CCCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride?
The InChIKey is YVQWUQBAYHJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.ClH/c22-17(13-15-5-1-2-6-15)20-9-4-10-21(12-11-20)18(23)16-7-3-8-19-14-16;/h15-16,19H,1-14H2;1H.
What are the key properties of 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride?
2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119282220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).