3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C18H27ClN4O2 — CID 119392890

IUPAC3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H26N4O2.ClH/c23-17(20-7-2-10-22-11-8-19-9-12-22)15-3-1-4-16(13-15)21-18(24)14-5-6-14;/h1,3-4,13-14,19H,2,5-12H2,(H,20,23)(H,21,24);1H
InChIKeyKJSNKYQXJGBYKO-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.48
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119392890) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119392890
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H26N4O2.ClH/c23-17(20-7-2-10-22-11-8-19-9-12-22)15-3-1-4-16(13-15)21-18(24)14-5-6-14;/h1,3-4,13-14,19H,2,5-12H2,(H,20,23)(H,21,24);1H
InChIKeyKJSNKYQXJGBYKO-UHFFFAOYSA-N
XLogP1.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55782171
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
2-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241565
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119392890) is 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is KJSNKYQXJGBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c23-17(20-7-2-10-22-11-8-19-9-12-22)15-3-1-4-16(13-15)21-18(24)14-5-6-14;/h1,3-4,13-14,19H,2,5-12H2,(H,20,23)(H,21,24);1H.
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119392890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).