4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide

C22H26ClN3O — CID 113214019

IUPAC4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C2(CNC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1
InChIInChI=1S/C22H26ClN3O/c1-17-5-7-18(8-6-17)22(9-10-22)16-24-21(27)26-13-11-25(12-14-26)20-4-2-3-19(23)15-20/h2-8,15H,9-14,16H2,1H3,(H,24,27)
InChIKeyOHAWZAXNVXVBLY-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.21
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide (PubChem CID 113214019) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
PubChem CID113214019
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C2(CNC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1
InChIInChI=1S/C22H26ClN3O/c1-17-5-7-18(8-6-17)22(9-10-22)16-24-21(27)26-13-11-25(12-14-26)20-4-2-3-19(23)15-20/h2-8,15H,9-14,16H2,1H3,(H,24,27)
InChIKeyOHAWZAXNVXVBLY-UHFFFAOYSA-N
XLogP4.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214041
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
N-[(1-phenylcyclopropyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46699763
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907438
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 30303440
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113213995
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide (CID 113214019) is 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide is Cc1ccc(C2(CNC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The InChIKey is OHAWZAXNVXVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-17-5-7-18(8-6-17)22(9-10-22)16-24-21(27)26-13-11-25(12-14-26)20-4-2-3-19(23)15-20/h2-8,15H,9-14,16H2,1H3,(H,24,27).
What are the key properties of 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113214019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).