4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide

C22H29N3O — CID 108867265

IUPAC4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-18(2)17-23-22(26)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,23,26)
InChIKeyMBYKAGZYBGBDOL-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.76
Rot. Bonds5

About 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide

4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 108867265) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID108867265
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-18(2)17-23-22(26)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,23,26)
InChIKeyMBYKAGZYBGBDOL-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
CID 108914590
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
N-[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 23388414
4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
CID 133269505
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide (CID 108867265) is 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is MBYKAGZYBGBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18(2)17-23-22(26)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,23,26).
What are the key properties of 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide?
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 108867265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).