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

C17H26N4O2 — CID 119464217

IUPACN-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)NCC1CCCNC1
InChIInChI=1S/C17H26N4O2/c1-12(2)20-17(23)21-15-8-4-3-7-14(15)16(22)19-11-13-6-5-9-18-10-13/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyJUAGJPXDJWKTHW-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.95
Rot. Bonds5

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

N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 119464217) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID119464217
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)NCC1CCCNC1
InChIInChI=1S/C17H26N4O2/c1-12(2)20-17(23)21-15-8-4-3-7-14(15)16(22)19-11-13-6-5-9-18-10-13/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyJUAGJPXDJWKTHW-UHFFFAOYSA-N
XLogP1.95
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
CID 119463848
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide (CID 119464217) is N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccccc1C(=O)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is JUAGJPXDJWKTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)20-17(23)21-15-8-4-3-7-14(15)16(22)19-11-13-6-5-9-18-10-13/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide?
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 119464217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).