1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride

C20H35Cl2N5O — CID 154905187

IUPAC1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(Cn1ccc(C2CCCNC2)n1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C20H33N5O.2ClH/c26-20(16-25-12-8-19(22-25)17-5-3-9-21-15-17)24-11-4-10-23(13-14-24)18-6-1-2-7-18;;/h8,12,17-18,21H,1-7,9-11,13-16H2;2*1H
InChIKeyGKZVXUFMCUVJRO-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride

1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride (PubChem CID 154905187) has the molecular formula C20H35Cl2N5O and a molecular weight of 432.44 g/mol. Its IUPAC name is 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride
PubChem CID154905187
Molecular FormulaC20H35Cl2N5O
Molecular Weight432.44 g/mol
Exact Mass431.22
IUPAC Name1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(Cn1ccc(C2CCCNC2)n1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C20H33N5O.2ClH/c26-20(16-25-12-8-19(22-25)17-5-3-9-21-15-17)24-11-4-10-23(13-14-24)18-6-1-2-7-18;;/h8,12,17-18,21H,1-7,9-11,13-16H2;2*1H
InChIKeyGKZVXUFMCUVJRO-UHFFFAOYSA-N
XLogP2.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126437249
1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
CID 119067951
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 126429176
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126451796
N-ethyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-propylacetamide
CID 119073593
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 126436811
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
CID 154904644
(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119871577
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154906002
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride?
The IUPAC name of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride (CID 154905187) is 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride is Cl.Cl.O=C(Cn1ccc(C2CCCNC2)n1)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride?
The InChIKey is GKZVXUFMCUVJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.2ClH/c26-20(16-25-12-8-19(22-25)17-5-3-9-21-15-17)24-11-4-10-23(13-14-24)18-6-1-2-7-18;;/h8,12,17-18,21H,1-7,9-11,13-16H2;2*1H.
What are the key properties of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride?
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 154905187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).