N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C18H26N4O — CID 108912309

IUPACN-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/C=C/C1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H26N4O/c23-18(20-11-9-16-6-2-1-3-7-16)22-14-12-21(13-15-22)17-8-4-5-10-19-17/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,20,23)/b11-9+
InChIKeyCDIDMERYYGAAIV-PKNBQFBNSA-N
MW314.43 g/mol
LogP3.01
Rot. Bonds3

About N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108912309) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108912309
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/C=C/C1CCCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H26N4O/c23-18(20-11-9-16-6-2-1-3-7-16)22-14-12-21(13-15-22)17-8-4-5-10-19-17/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,20,23)/b11-9+
InChIKeyCDIDMERYYGAAIV-PKNBQFBNSA-N
XLogP3.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108904506
N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905249
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53370981
N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905995
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
N-cyclohexyl-N-methyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503873
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108912309) is N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/C=C/C1CCCCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is CDIDMERYYGAAIV-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H26N4O/c23-18(20-11-9-16-6-2-1-3-7-16)22-14-12-21(13-15-22)17-8-4-5-10-19-17/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,20,23)/b11-9+.
What are the key properties of N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108912309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).