4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride

C16H24Cl2N4O2 — CID 119890505

IUPAC4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc(N2CCN(C(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C16H22N4O2.2ClH/c17-15(21)12-3-5-13(6-4-12)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14;;/h3-6,14,18H,1-2,7-11H2,(H2,17,21);2*1H
InChIKeyKODZXPKWEYYSNX-UHFFFAOYSA-N
MW375.30 g/mol
LogP1.03
Rot. Bonds3

About 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride

4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride (PubChem CID 119890505) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
PubChem CID119890505
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc(N2CCN(C(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C16H22N4O2.2ClH/c17-15(21)12-3-5-13(6-4-12)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14;;/h3-6,14,18H,1-2,7-11H2,(H2,17,21);2*1H
InChIKeyKODZXPKWEYYSNX-UHFFFAOYSA-N
XLogP1.03
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 136580851
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride?
The IUPAC name of 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride (CID 119890505) is 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride.
What is the SMILES notation for 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride?
The canonical SMILES for 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride is Cl.Cl.NC(=O)c1ccc(N2CCN(C(=O)C3CCCN3)CC2)cc1.
What is the InChIKey of 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride?
The InChIKey is KODZXPKWEYYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.2ClH/c17-15(21)12-3-5-13(6-4-12)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14;;/h3-6,14,18H,1-2,7-11H2,(H2,17,21);2*1H.
What are the key properties of 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride?
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119890505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).