2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride

C19H30ClN3O2 — CID 119312366

IUPAC2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-2-7-17(20)19(24)22-14-12-21(13-15-22)18(23)11-6-10-16-8-4-3-5-9-16;/h3-5,8-9,17H,2,6-7,10-15,20H2,1H3;1H
InChIKeyCFVKHXMZQURFIO-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.23
Rot. Bonds7

About 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride

2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119312366) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID119312366
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-2-7-17(20)19(24)22-14-12-21(13-15-22)18(23)11-6-10-16-8-4-3-5-9-16;/h3-5,8-9,17H,2,6-7,10-15,20H2,1H3;1H
InChIKeyCFVKHXMZQURFIO-UHFFFAOYSA-N
XLogP2.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one
CID 119339757
2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 119314467
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 119444703
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
2-amino-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 75449499
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-(4-phenylbutanoyl)-4-propyl-1,4-diazepan-5-one
CID 26280630
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119444704

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 119312366) is 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is CFVKHXMZQURFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-2-7-17(20)19(24)22-14-12-21(13-15-22)18(23)11-6-10-16-8-4-3-5-9-16;/h3-5,8-9,17H,2,6-7,10-15,20H2,1H3;1H.
What are the key properties of 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119312366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).