2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide

C27H35N3O2 — CID 53110438

IUPAC2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1
InChIInChI=1S/C27H35N3O2/c1-21(2)25(31)28-23-13-11-22(12-14-23)27(15-7-4-8-16-27)26(32)30-19-17-29(18-20-30)24-9-5-3-6-10-24/h3,5-6,9-14,21H,4,7-8,15-20H2,1-2H3,(H,28,31)
InChIKeyCYKJFUNVKDSZTE-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.83
Rot. Bonds5

About 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide

2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide (PubChem CID 53110438) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
PubChem CID53110438
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1
InChIInChI=1S/C27H35N3O2/c1-21(2)25(31)28-23-13-11-22(12-14-23)27(15-7-4-8-16-27)26(32)30-19-17-29(18-20-30)24-9-5-3-6-10-24/h3,5-6,9-14,21H,4,7-8,15-20H2,1-2H3,(H,28,31)
InChIKeyCYKJFUNVKDSZTE-UHFFFAOYSA-N
XLogP4.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 28624319
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
CID 53110577
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide (CID 53110438) is 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
The InChIKey is CYKJFUNVKDSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-21(2)25(31)28-23-13-11-22(12-14-23)27(15-7-4-8-16-27)26(32)30-19-17-29(18-20-30)24-9-5-3-6-10-24/h3,5-6,9-14,21H,4,7-8,15-20H2,1-2H3,(H,28,31).
What are the key properties of 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide has a molecular weight of 433.60 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide is sourced from PubChem (CID 53110438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).