N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide

C24H33N3O2 — CID 109132423

IUPACN-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CC1C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c28-23(25-20-11-5-2-6-12-20)21-18-22(21)24(29)27-16-14-26(15-17-27)13-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,20-22H,2,5-6,11-18H2,(H,25,28)/b10-7+
InChIKeyDZXLWAYWYQMOPS-JXMROGBWSA-N
MW395.55 g/mol
LogP2.93
Rot. Bonds6

About N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 109132423) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID109132423
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CC1C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c28-23(25-20-11-5-2-6-12-20)21-18-22(21)24(29)27-16-14-26(15-17-27)13-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,20-22H,2,5-6,11-18H2,(H,25,28)/b10-7+
InChIKeyDZXLWAYWYQMOPS-JXMROGBWSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
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
(1R,6R)-3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 91168088
3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 3132194
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292
(1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6979724
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55474971
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-(4-acetylpiperazine-1-carbonyl)-N-cyclopentylcyclopropane-1-carboxamide
CID 109131999
N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 109132423) is N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide is O=C(NC1CCCCC1)C1CC1C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is DZXLWAYWYQMOPS-JXMROGBWSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-23(25-20-11-5-2-6-12-20)21-18-22(21)24(29)27-16-14-26(15-17-27)13-7-10-19-8-3-1-4-9-19/h1,3-4,7-10,20-22H,2,5-6,11-18H2,(H,25,28)/b10-7+.
What are the key properties of N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109132423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).