N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide

C20H29N3O2 — CID 91942292

IUPACN-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19-10-8-18(9-11-19)21-20(25)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-7,18-19,24H,8-16H2,(H,21,25)
InChIKeyYSIZSUJAUYWZKU-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.33
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide

N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide (PubChem CID 91942292) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
PubChem CID91942292
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19-10-8-18(9-11-19)21-20(25)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-7,18-19,24H,8-16H2,(H,21,25)
InChIKeyYSIZSUJAUYWZKU-UHFFFAOYSA-N
XLogP2.33
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109132423
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide (CID 91942292) is N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The InChIKey is YSIZSUJAUYWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-10-8-18(9-11-19)21-20(25)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-7,18-19,24H,8-16H2,(H,21,25).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide is sourced from PubChem (CID 91942292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).