2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide

C21H27N3O — CID 1439299

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-22(2)20(25)17-23-13-15-24(16-14-23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,13-17H2,1-2H3
InChIKeyVFEDRBLJYVHHAZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide

2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide (PubChem CID 1439299) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
PubChem CID1439299
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-22(2)20(25)17-23-13-15-24(16-14-23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,13-17H2,1-2H3
InChIKeyVFEDRBLJYVHHAZ-UHFFFAOYSA-N
XLogP2.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 36850979
2-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]-N-methylacetamide
CID 11387366
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 45281440
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
N,N-dimethyl-2-[4-[(1R)-1-(3-methylphenyl)ethyl]-1,4-diazepan-1-yl]acetamide
CID 95899527
2-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide (CID 1439299) is 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is VFEDRBLJYVHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-22(2)20(25)17-23-13-15-24(16-14-23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,13-17H2,1-2H3.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide?
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 337.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 1439299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).