N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide

C23H30N4O — CID 118793572

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
SMILESCN1CCN(C2(CNC(=O)c3cccc(-c4ccncc4)c3)CCCC2)CC1
InChIInChI=1S/C23H30N4O/c1-26-13-15-27(16-14-26)23(9-2-3-10-23)18-25-22(28)21-6-4-5-20(17-21)19-7-11-24-12-8-19/h4-8,11-12,17H,2-3,9-10,13-16,18H2,1H3,(H,25,28)
InChIKeyZMAXZKPHIDQMAX-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide

N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide (PubChem CID 118793572) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
PubChem CID118793572
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
SMILESCN1CCN(C2(CNC(=O)c3cccc(-c4ccncc4)c3)CCCC2)CC1
InChIInChI=1S/C23H30N4O/c1-26-13-15-27(16-14-26)23(9-2-3-10-23)18-25-22(28)21-6-4-5-20(17-21)19-7-11-24-12-8-19/h4-8,11-12,17H,2-3,9-10,13-16,18H2,1H3,(H,25,28)
InChIKeyZMAXZKPHIDQMAX-UHFFFAOYSA-N
XLogP3.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
CID 74242211
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
tert-butyl 4-(4-methylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 70946310
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
4-amino-3-ethanimidoyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]benzamide
CID 134567416
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506711
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948871
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide (CID 118793572) is N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide is CN1CCN(C2(CNC(=O)c3cccc(-c4ccncc4)c3)CCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide?
The InChIKey is ZMAXZKPHIDQMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-26-13-15-27(16-14-26)23(9-2-3-10-23)18-25-22(28)21-6-4-5-20(17-21)19-7-11-24-12-8-19/h4-8,11-12,17H,2-3,9-10,13-16,18H2,1H3,(H,25,28).
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide?
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide has a molecular weight of 378.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide is sourced from PubChem (CID 118793572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).