4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide

C32H32N4O2 — CID 11420741

IUPAC4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(N2CCC(C(c3ccccc3)c3ccccc3)CC2)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C32H32N4O2/c33-31(37)26-16-17-29(28(22-26)35-32(38)34-27-14-8-3-9-15-27)36-20-18-25(19-21-36)30(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,25,30H,18-21H2,(H2,33,37)(H2,34,35,38)
InChIKeyYBBVJUAJHNONMF-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.48
Rot. Bonds7

About 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide

4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide (PubChem CID 11420741) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide
PubChem CID11420741
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC Name4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(N2CCC(C(c3ccccc3)c3ccccc3)CC2)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C32H32N4O2/c33-31(37)26-16-17-29(28(22-26)35-32(38)34-27-14-8-3-9-15-27)36-20-18-25(19-21-36)30(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,25,30H,18-21H2,(H2,33,37)(H2,34,35,38)
InChIKeyYBBVJUAJHNONMF-UHFFFAOYSA-N
XLogP6.48
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-3-[(3,5-dimethylphenyl)carbamoylamino]benzamide
CID 11249599
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
CID 11280085
N-[4-(4-benzhydrylpiperidin-1-yl)-3-cyanophenyl]-2-ethylbutanamide
CID 25255232
ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate
CID 15992751
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate
CID 15994461
4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
CID 55215528
3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-4-pyrrolidin-1-ylbenzamide
CID 24653934
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
3-(carbamothioylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 169358475
benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate
CID 90204404
3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
CID 24675990

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide?
The IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide (CID 11420741) is 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide?
The canonical SMILES for 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide is NC(=O)c1ccc(N2CCC(C(c3ccccc3)c3ccccc3)CC2)c(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide?
The InChIKey is YBBVJUAJHNONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c33-31(37)26-16-17-29(28(22-26)35-32(38)34-27-14-8-3-9-15-27)36-20-18-25(19-21-36)30(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,25,30H,18-21H2,(H2,33,37)(H2,34,35,38).
What are the key properties of 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide?
4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide has a molecular weight of 504.63 g/mol, XLogP of 6.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 11420741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).