N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C20H31N3O2 — CID 72879612

IUPACN-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC3CCC(O)CC3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-16-3-2-4-18(15-16)23-13-11-22(12-14-23)10-9-20(25)21-17-5-7-19(24)8-6-17/h2-4,15,17,19,24H,5-14H2,1H3,(H,21,25)
InChIKeyQVLKOOAZQHYQIJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.93
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 72879612) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID72879612
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NC3CCC(O)CC3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-16-3-2-4-18(15-16)23-13-11-22(12-14-23)10-9-20(25)21-17-5-7-19(24)8-6-17/h2-4,15,17,19,24H,5-14H2,1H3,(H,21,25)
InChIKeyQVLKOOAZQHYQIJ-UHFFFAOYSA-N
XLogP1.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119458299
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91779821
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 91026152
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
CID 119513309

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 72879612) is N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)NC3CCC(O)CC3)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is QVLKOOAZQHYQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-3-2-4-18(15-16)23-13-11-22(12-14-23)10-9-20(25)21-17-5-7-19(24)8-6-17/h2-4,15,17,19,24H,5-14H2,1H3,(H,21,25).
What are the key properties of N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 72879612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).