2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide

C24H30ClN3O2 — CID 78832067

IUPAC2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C3CC3c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H30ClN3O2/c1-30-19-9-7-18(8-10-19)28-15-13-27(14-16-28)12-4-11-26-24(29)22-17-21(22)20-5-2-3-6-23(20)25/h2-3,5-10,21-22H,4,11-17H2,1H3,(H,26,29)
InChIKeyFTFLUQHGNLDKMS-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.78
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide (PubChem CID 78832067) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
PubChem CID78832067
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C3CC3c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H30ClN3O2/c1-30-19-9-7-18(8-10-19)28-15-13-27(14-16-28)12-4-11-26-24(29)22-17-21(22)20-5-2-3-6-23(20)25/h2-3,5-10,21-22H,4,11-17H2,1H3,(H,26,29)
InChIKeyFTFLUQHGNLDKMS-UHFFFAOYSA-N
XLogP3.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide
CID 55662076
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
CID 55751317
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
2-(6-chloro-3-pyridinyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 86933478
2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
CID 55474580
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide (CID 78832067) is 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide is COc1ccc(N2CCN(CCCNC(=O)C3CC3c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide?
The InChIKey is FTFLUQHGNLDKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-30-19-9-7-18(8-10-19)28-15-13-27(14-16-28)12-4-11-26-24(29)22-17-21(22)20-5-2-3-6-23(20)25/h2-3,5-10,21-22H,4,11-17H2,1H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78832067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).