N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide

C23H35N3O2 — CID 53110369

IUPACN-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
SMILESCCCN1CCN(C(=O)C2(c3ccc(NC(=O)CC)cc3)CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-14-25-15-17-26(18-16-25)22(28)23(12-6-5-7-13-23)19-8-10-20(11-9-19)24-21(27)4-2/h8-11H,3-7,12-18H2,1-2H3,(H,24,27)
InChIKeyPBPABQIWOWIPKZ-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.79
Rot. Bonds6

About N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide

N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide (PubChem CID 53110369) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
PubChem CID53110369
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
SMILESCCCN1CCN(C(=O)C2(c3ccc(NC(=O)CC)cc3)CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-14-25-15-17-26(18-16-25)22(28)23(12-6-5-7-13-23)19-8-10-20(11-9-19)24-21(27)4-2/h8-11H,3-7,12-18H2,1-2H3,(H,24,27)
InChIKeyPBPABQIWOWIPKZ-UHFFFAOYSA-N
XLogP3.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
CID 53110577
N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
CID 53110395
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
CID 55369687
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide (CID 53110369) is N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide is CCCN1CCN(C(=O)C2(c3ccc(NC(=O)CC)cc3)CCCCC2)CC1.
What is the InChIKey of N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
The InChIKey is PBPABQIWOWIPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-14-25-15-17-26(18-16-25)22(28)23(12-6-5-7-13-23)19-8-10-20(11-9-19)24-21(27)4-2/h8-11H,3-7,12-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide?
N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide has a molecular weight of 385.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide is sourced from PubChem (CID 53110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).