N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

C23H26ClN3O2 — CID 46450621

IUPACN-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H26ClN3O2/c1-16-14-21(16)22(28)25-20-8-4-18(5-9-20)23(29)27-12-10-26(11-13-27)15-17-2-6-19(24)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,25,28)
InChIKeyXCPJEWXDOXVQHY-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.89
Rot. Bonds5

About N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 46450621) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID46450621
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H26ClN3O2/c1-16-14-21(16)22(28)25-20-8-4-18(5-9-20)23(29)27-12-10-26(11-13-27)15-17-2-6-19(24)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,25,28)
InChIKeyXCPJEWXDOXVQHY-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-methyl-N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55650507
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 46429453
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 46450621) is N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XCPJEWXDOXVQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-14-21(16)22(28)25-20-8-4-18(5-9-20)23(29)27-12-10-26(11-13-27)15-17-2-6-19(24)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,25,28).
What are the key properties of N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46450621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).