N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

C23H26N4O3 — CID 31349274

IUPACN-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CN1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1)Nc1ccccc1
InChIInChI=1S/C23H26N4O3/c28-21(24-19-6-2-1-3-7-19)16-26-11-13-27(14-12-26)23(30)18-5-4-8-20(15-18)25-22(29)17-9-10-17/h1-8,15,17H,9-14,16H2,(H,24,28)(H,25,29)
InChIKeyQWNGYLSROZCAFG-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.43
Rot. Bonds6

About N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 31349274) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID31349274
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CN1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1)Nc1ccccc1
InChIInChI=1S/C23H26N4O3/c28-21(24-19-6-2-1-3-7-19)16-26-11-13-27(14-12-26)23(30)18-5-4-8-20(15-18)25-22(29)17-9-10-17/h1-8,15,17H,9-14,16H2,(H,24,28)(H,25,29)
InChIKeyQWNGYLSROZCAFG-UHFFFAOYSA-N
XLogP2.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55650668
N-[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 35604613
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624
N-[3-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 37079087
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 31349274) is N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is O=C(CN1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QWNGYLSROZCAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(24-19-6-2-1-3-7-19)16-26-11-13-27(14-12-26)23(30)18-5-4-8-20(15-18)25-22(29)17-9-10-17/h1-8,15,17H,9-14,16H2,(H,24,28)(H,25,29).
What are the key properties of N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 31349274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).