N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C27H37N3O2 — CID 14208395

IUPACN-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)NC(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C27H37N3O2/c1-32-25-15-9-8-14-24(25)30-20-18-29(19-21-30)17-16-26(31)28-27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,23,27H,3,6-7,12-13,16-21H2,1H3,(H,28,31)
InChIKeyWLYGOGBWJMMWNS-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.65
Rot. Bonds8

About N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 14208395) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID14208395
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)NC(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C27H37N3O2/c1-32-25-15-9-8-14-24(25)30-20-18-29(19-21-30)17-16-26(31)28-27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,23,27H,3,6-7,12-13,16-21H2,1H3,(H,28,31)
InChIKeyWLYGOGBWJMMWNS-UHFFFAOYSA-N
XLogP4.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
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CID 71336050
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 24900672
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 14208395) is N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(CCC(=O)NC(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is WLYGOGBWJMMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-32-25-15-9-8-14-24(25)30-20-18-29(19-21-30)17-16-26(31)28-27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,23,27H,3,6-7,12-13,16-21H2,1H3,(H,28,31).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 435.61 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 14208395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).