N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

C25H34N4O — CID 24794972

IUPACN-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCN(CC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H34N4O/c1-27-16-18-28(19-17-27)20-21-12-14-29(15-13-21)25(30)26-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,21,24H,12-20H2,1H3,(H,26,30)
InChIKeyOOJOHCDYIFSBFW-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.44
Rot. Bonds5

About N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 24794972) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID24794972
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCN(CC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H34N4O/c1-27-16-18-28(19-17-27)20-21-12-14-29(15-13-21)25(30)26-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,21,24H,12-20H2,1H3,(H,26,30)
InChIKeyOOJOHCDYIFSBFW-UHFFFAOYSA-N
XLogP3.44
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 23649168
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 126446250
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide
CID 11720221
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165108
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
CID 121105871

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 24794972) is N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is CN1CCN(CC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is OOJOHCDYIFSBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-27-16-18-28(19-17-27)20-21-12-14-29(15-13-21)25(30)26-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,21,24H,12-20H2,1H3,(H,26,30).
What are the key properties of N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 24794972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).