[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

C18H22ClN3O2S — CID 119301454

IUPAC[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(CN)cc3)CC2)s1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-13-2-7-16(24-13)18(23)21-10-8-20(9-11-21)17(22)15-5-3-14(12-19)4-6-15;/h2-7H,8-12,19H2,1H3;1H
InChIKeyWSFNIGMPONVSBU-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.54
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119301454) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119301454
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(CN)cc3)CC2)s1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-13-2-7-16(24-13)18(23)21-10-8-20(9-11-21)17(22)15-5-3-14(12-19)4-6-15;/h2-7H,8-12,19H2,1H3;1H
InChIKeyWSFNIGMPONVSBU-UHFFFAOYSA-N
XLogP2.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-oxopropyl]benzoic acid
CID 120549555
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120847972
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 155937619
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301448
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119301454) is [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(CN)cc3)CC2)s1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WSFNIGMPONVSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-13-2-7-16(24-13)18(23)21-10-8-20(9-11-21)17(22)15-5-3-14(12-19)4-6-15;/h2-7H,8-12,19H2,1H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119301454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).