5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide

C23H29N3O2 — CID 70074590

IUPAC5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
SMILESCC(CC(N)=O)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-18(16-21(24)27)17-22(28)25-12-14-26(15-13-25)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,12-17H2,1H3,(H2,24,27)
InChIKeySVDHMCIVKDJFFS-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.82
Rot. Bonds7

About 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide

5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide (PubChem CID 70074590) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
PubChem CID70074590
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
SMILESCC(CC(N)=O)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-18(16-21(24)27)17-22(28)25-12-14-26(15-13-25)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,12-17H2,1H3,(H2,24,27)
InChIKeySVDHMCIVKDJFFS-UHFFFAOYSA-N
XLogP2.82
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
5-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-3-methyl-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 24781357

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide?
The IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide (CID 70074590) is 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide.
What is the SMILES notation for 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide?
The canonical SMILES for 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide is CC(CC(N)=O)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide?
The InChIKey is SVDHMCIVKDJFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(16-21(24)27)17-22(28)25-12-14-26(15-13-25)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,12-17H2,1H3,(H2,24,27).
What are the key properties of 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide?
5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide has a molecular weight of 379.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide is sourced from PubChem (CID 70074590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).