N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide

C31H38N4O2 — CID 67763797

IUPACN-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide
SMILESCCCCN(C(N)=O)c1ccccc1C(=O)NCC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H38N4O2/c1-2-3-20-35(31(32)37)28-17-11-10-16-27(28)30(36)33-23-24-18-21-34(22-19-24)29(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,24,29H,2-3,18-23H2,1H3,(H2,32,37)(H,33,36)
InChIKeyBCCDDIZRQHBRBM-UHFFFAOYSA-N
MW498.67 g/mol
LogP5.60
Rot. Bonds10

About N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide

N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide (PubChem CID 67763797) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide
PubChem CID67763797
Molecular FormulaC31H38N4O2
Molecular Weight498.67 g/mol
Exact Mass498.30
IUPAC NameN-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide
SMILESCCCCN(C(N)=O)c1ccccc1C(=O)NCC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H38N4O2/c1-2-3-20-35(31(32)37)28-17-11-10-16-27(28)30(36)33-23-24-18-21-34(22-19-24)29(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,24,29H,2-3,18-23H2,1H3,(H2,32,37)(H,33,36)
InChIKeyBCCDDIZRQHBRBM-UHFFFAOYSA-N
XLogP5.60
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[carbamoyl(heptyl)amino]-5-pyrrolidin-1-ylbenzamide
CID 67594657
N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
CID 71660278
N-[(1-benzhydrylpiperidin-4-yl)methyl]-5-(methylamino)-2-nitrobenzamide
CID 67594574
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-(cyclobutylcarbamoylamino)-5-(dimethylamino)benzamide
CID 67596416
1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247
benzyl 4-[(4-butylpiperidin-1-yl)-phenylmethyl]benzoate
CID 22970140
2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide
CID 67596623
2-[butyl(carboxy)amino]benzoic acid
CID 69470205
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
CID 22970094

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide?
The IUPAC name of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide (CID 67763797) is N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide.
What is the SMILES notation for N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide?
The canonical SMILES for N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide is CCCCN(C(N)=O)c1ccccc1C(=O)NCC1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide?
The InChIKey is BCCDDIZRQHBRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-2-3-20-35(31(32)37)28-17-11-10-16-27(28)30(36)33-23-24-18-21-34(22-19-24)29(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,24,29H,2-3,18-23H2,1H3,(H2,32,37)(H,33,36).
What are the key properties of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide?
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide has a molecular weight of 498.67 g/mol, XLogP of 5.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide is sourced from PubChem (CID 67763797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).