N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide

C23H29N3O2 — CID 110627179

IUPACN-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOCCN1CCN(c2ccc(NC(=O)C3CC3c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-16-15-25-11-13-26(14-12-25)20-9-7-19(8-10-20)24-23(27)22-17-21(22)18-5-3-2-4-6-18/h2-10,21-22H,11-17H2,1H3,(H,24,27)
InChIKeyGEHMCOPRXATEBG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.20
Rot. Bonds7

About N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110627179) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110627179
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOCCN1CCN(c2ccc(NC(=O)C3CC3c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-16-15-25-11-13-26(14-12-25)20-9-7-19(8-10-20)24-23(27)22-17-21(22)18-5-3-2-4-6-18/h2-10,21-22H,11-17H2,1H3,(H,24,27)
InChIKeyGEHMCOPRXATEBG-UHFFFAOYSA-N
XLogP3.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109133046
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
2-phenyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]cyclopropane-1-carboxamide
CID 4028565
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
trans-(1S,2S)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981797
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-N-(2-methoxyethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133042
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
trans-(1S,2S)-2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981803

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide (CID 110627179) is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide is COCCN1CCN(c2ccc(NC(=O)C3CC3c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GEHMCOPRXATEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-16-15-25-11-13-26(14-12-25)20-9-7-19(8-10-20)24-23(27)22-17-21(22)18-5-3-2-4-6-18/h2-10,21-22H,11-17H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110627179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).