N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide

C16H24N4O2 — CID 119387911

IUPACN-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-14-5-3-4-12(10-14)15(21)19-13-6-8-17-9-7-13/h3-5,10-11,13,17H,6-9H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeySTVQJBZNIMVUAF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.70
Rot. Bonds4

About N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide

N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 119387911) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID119387911
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-14-5-3-4-12(10-14)15(21)19-13-6-8-17-9-7-13/h3-5,10-11,13,17H,6-9H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeySTVQJBZNIMVUAF-UHFFFAOYSA-N
XLogP1.70
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120557334
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 95324326
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide (CID 119387911) is N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NC2CCNCC2)c1.
What is the InChIKey of N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is STVQJBZNIMVUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-14-5-3-4-12(10-14)15(21)19-13-6-8-17-9-7-13/h3-5,10-11,13,17H,6-9H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide?
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 119387911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).