N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride

C19H25ClN4O — CID 119494632

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-14(2)15-3-5-16(6-4-15)19(24)22-18-8-7-17(13-21-18)23-11-9-20-10-12-23;/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,22,24);1H
InChIKeyZEIDVBIDAQRQPP-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.29
Rot. Bonds4

About N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride

N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride (PubChem CID 119494632) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
PubChem CID119494632
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-14(2)15-3-5-16(6-4-15)19(24)22-18-8-7-17(13-21-18)23-11-9-20-10-12-23;/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,22,24);1H
InChIKeyZEIDVBIDAQRQPP-UHFFFAOYSA-N
XLogP3.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494252
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride (CID 119494632) is N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride is CC(C)c1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1.Cl.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride?
The InChIKey is ZEIDVBIDAQRQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-14(2)15-3-5-16(6-4-15)19(24)22-18-8-7-17(13-21-18)23-11-9-20-10-12-23;/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,22,24);1H.
What are the key properties of N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride?
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119494632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).