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

C16H24N4O2 — CID 119426507

IUPACN-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-13-6-3-5-12(9-13)15(21)19-14-7-4-8-17-10-14/h3,5-6,9,11,14,17H,4,7-8,10H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyGSWOUHPQAFVROD-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.70
Rot. Bonds4

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

N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 119426507) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID119426507
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-13-6-3-5-12(9-13)15(21)19-14-7-4-8-17-10-14/h3,5-6,9,11,14,17H,4,7-8,10H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyGSWOUHPQAFVROD-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-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120557334
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-[3-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 119428864
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
N-piperidin-3-ylbenzamide
CID 22017045
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide (CID 119426507) is N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NC2CCCNC2)c1.
What is the InChIKey of N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is GSWOUHPQAFVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)18-16(22)20-13-6-3-5-12(9-13)15(21)19-14-7-4-8-17-10-14/h3,5-6,9,11,14,17H,4,7-8,10H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide?
N-piperidin-3-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-3-yl-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 119426507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).