1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride

C19H28ClN3O2 — CID 119314460

IUPAC1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(CC(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-15-4-6-16(7-5-15)14-17(23)21-10-12-22(13-11-21)18(24)19(20)8-2-3-9-19;/h4-7H,2-3,8-14,20H2,1H3;1H
InChIKeyPXYVNGWNVQOMNO-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.90
Rot. Bonds3

About 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride

1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 119314460) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID119314460
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(CC(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-15-4-6-16(7-5-15)14-17(23)21-10-12-22(13-11-21)18(24)19(20)8-2-3-9-19;/h4-7H,2-3,8-14,20H2,1H3;1H
InChIKeyPXYVNGWNVQOMNO-UHFFFAOYSA-N
XLogP1.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120930299
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 111432626
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365770
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
CID 116598490
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
CID 171712317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride (CID 119314460) is 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride is Cc1ccc(CC(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1.Cl.
What is the InChIKey of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is PXYVNGWNVQOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-15-4-6-16(7-5-15)14-17(23)21-10-12-22(13-11-21)18(24)19(20)8-2-3-9-19;/h4-7H,2-3,8-14,20H2,1H3;1H.
What are the key properties of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).