N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide

C20H24N4O2 — CID 29206704

IUPACN-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N4O2/c21-20(26)23-18-8-4-7-16(13-18)19(25)22-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H,22,25)(H3,21,23,26)
InChIKeyFMHQJFRAALWZEN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.57
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide

N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide (PubChem CID 29206704) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
PubChem CID29206704
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N4O2/c21-20(26)23-18-8-4-7-16(13-18)19(25)22-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H,22,25)(H3,21,23,26)
InChIKeyFMHQJFRAALWZEN-UHFFFAOYSA-N
XLogP2.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
CID 142738850
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
CID 164590008
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
CID 46483260
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide (CID 29206704) is N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide is NC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide?
The InChIKey is FMHQJFRAALWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-20(26)23-18-8-4-7-16(13-18)19(25)22-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H,22,25)(H3,21,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide is sourced from PubChem (CID 29206704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).