(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone

C23H29N3O — CID 119826679

IUPAC(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone
SMILESNC1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1
InChIInChI=1S/C23H29N3O/c24-23(13-7-8-14-23)22(27)26-17-15-25(16-18-26)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18,24H2
InChIKeyDYRGPMXELCTYCO-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.19
Rot. Bonds4

About (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone

(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone (PubChem CID 119826679) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone
PubChem CID119826679
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone
SMILESNC1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1
InChIInChI=1S/C23H29N3O/c24-23(13-7-8-14-23)22(27)26-17-15-25(16-18-26)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18,24H2
InChIKeyDYRGPMXELCTYCO-UHFFFAOYSA-N
XLogP3.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]propanoic acid
CID 81168786

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone (CID 119826679) is (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone is NC1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone?
The InChIKey is DYRGPMXELCTYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c24-23(13-7-8-14-23)22(27)26-17-15-25(16-18-26)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18,24H2.
What are the key properties of (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone?
(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone has a molecular weight of 363.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone is sourced from PubChem (CID 119826679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).