N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide

C20H30N3O+ — CID 3564830

IUPACN-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC[NH+](CC=Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O/c24-20(21-19-11-5-2-6-12-19)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,19H,2,5-6,11-17H2,(H,21,24)/p+1
InChIKeyCZTOPYHXTHGKAA-UHFFFAOYSA-O
MW328.48 g/mol
LogP1.94
Rot. Bonds4

About N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide

N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide (PubChem CID 3564830) has the molecular formula C20H30N3O+ and a molecular weight of 328.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
PubChem CID3564830
Molecular FormulaC20H30N3O+
Molecular Weight328.48 g/mol
Exact Mass328.24
IUPAC NameN-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC[NH+](CC=Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O/c24-20(21-19-11-5-2-6-12-19)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,19H,2,5-6,11-17H2,(H,21,24)/p+1
InChIKeyCZTOPYHXTHGKAA-UHFFFAOYSA-O
XLogP1.94
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
CID 7122454
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292
(1S,2R,3R,4R)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 11881272
(1-methylsulfonylpiperidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
CID 7248366
(1S,2S,3R,4R)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 7122354
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide
CID 2056603
(4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride
CID 18531800
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180
(3-chlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]methanone
CID 3562868
(2S)-2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one
CID 7372101

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide (CID 3564830) is N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide is O=C(NC1CCCCC1)N1CC[NH+](CC=Cc2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide?
The InChIKey is CZTOPYHXTHGKAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29N3O/c24-20(21-19-11-5-2-6-12-19)23-16-14-22(15-17-23)13-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,19H,2,5-6,11-17H2,(H,21,24)/p+1.
What are the key properties of N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide?
N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 3564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).