N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide

C25H29N3O3 — CID 46056527

IUPACN-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
SMILESCC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CC3)c2)CC1
InChIInChI=1S/C25H29N3O3/c1-19(29)26-12-14-27(15-13-26)24(30)17-21-8-5-9-23(16-21)28(25(31)22-10-11-22)18-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-18H2,1H3
InChIKeyROLRXQFQXXZMKS-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.86
Rot. Bonds6

About N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide

N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide (PubChem CID 46056527) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
PubChem CID46056527
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
SMILESCC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CC3)c2)CC1
InChIInChI=1S/C25H29N3O3/c1-19(29)26-12-14-27(15-13-26)24(30)17-21-8-5-9-23(16-21)28(25(31)22-10-11-22)18-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-18H2,1H3
InChIKeyROLRXQFQXXZMKS-UHFFFAOYSA-N
XLogP2.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056561
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
CID 42859271
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
CID 108996199
N-[[4-[2-(4-methylphenyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide
CID 50832839

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide (CID 46056527) is N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide is CC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CC3)c2)CC1.
What is the InChIKey of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide?
The InChIKey is ROLRXQFQXXZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19(29)26-12-14-27(15-13-26)24(30)17-21-8-5-9-23(16-21)28(25(31)22-10-11-22)18-20-6-3-2-4-7-20/h2-9,16,22H,10-15,17-18H2,1H3.
What are the key properties of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide?
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide is sourced from PubChem (CID 46056527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).