(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride

C16H31Cl2N3O — CID 119871577

IUPAC(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCNC1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O.2ClH/c20-16(14-5-3-8-17-13-14)19-10-4-9-18(11-12-19)15-6-1-2-7-15;;/h14-15,17H,1-13H2;2*1H
InChIKeyLFLTWJPOGYPIQT-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.31
Rot. Bonds2

About (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride

(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride (PubChem CID 119871577) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
PubChem CID119871577
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Name(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCNC1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O.2ClH/c20-16(14-5-3-8-17-13-14)19-10-4-9-18(11-12-19)15-6-1-2-7-15;;/h14-15,17H,1-13H2;2*1H
InChIKeyLFLTWJPOGYPIQT-UHFFFAOYSA-N
XLogP2.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(3R)-piperidin-3-yl]methanone
CID 81141639
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
cyclobutyl-(4-piperidin-3-ylpiperazin-1-yl)methanone
CID 115270016
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119282220
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-methyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119297856
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride?
The IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride (CID 119871577) is (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CCCNC1)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride?
The InChIKey is LFLTWJPOGYPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c20-16(14-5-3-8-17-13-14)19-10-4-9-18(11-12-19)15-6-1-2-7-15;;/h14-15,17H,1-13H2;2*1H.
What are the key properties of (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride?
(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119871577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).