N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide

C23H27N3O2 — CID 90567032

IUPACN-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(27)24-20-9-7-19(8-10-20)23(28)26-14-13-25(21-11-12-21)16-22(26)15-18-5-3-2-4-6-18/h2-10,21-22H,11-16H2,1H3,(H,24,27)
InChIKeyVGCCBHHJGQOJNV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.18
Rot. Bonds5

About N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide

N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 90567032) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID90567032
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(27)24-20-9-7-19(8-10-20)23(28)26-14-13-25(21-11-12-21)16-22(26)15-18-5-3-2-4-6-18/h2-10,21-22H,11-16H2,1H3,(H,24,27)
InChIKeyVGCCBHHJGQOJNV-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741149
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide (CID 90567032) is N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is VGCCBHHJGQOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(27)24-20-9-7-19(8-10-20)23(28)26-14-13-25(21-11-12-21)16-22(26)15-18-5-3-2-4-6-18/h2-10,21-22H,11-16H2,1H3,(H,24,27).
What are the key properties of N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide?
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 90567032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).