N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide

C18H28N4O — CID 23170136

IUPACN-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCNCC1)c1ccccn1
InChIInChI=1S/C18H28N4O/c23-18(16-6-2-1-3-7-16)22(17-8-4-5-9-20-17)15-14-21-12-10-19-11-13-21/h4-5,8-9,16,19H,1-3,6-7,10-15H2
InChIKeyZRQCETPYVDSBMP-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.90
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide

N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 23170136) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID23170136
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCNCC1)c1ccccn1
InChIInChI=1S/C18H28N4O/c23-18(16-6-2-1-3-7-16)22(17-8-4-5-9-20-17)15-14-21-12-10-19-11-13-21/h4-5,8-9,16,19H,1-3,6-7,10-15H2
InChIKeyZRQCETPYVDSBMP-UHFFFAOYSA-N
XLogP1.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70341261
N-[2-[(3R)-3-naphthalen-2-ylpyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461956
N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461957
N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67628614
[2-[4-[2-[cyclohexanecarbonyl(pyridin-2-yl)amino]ethyl]piperazin-1-yl]phenyl] sulfite
CID 10344749
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130
4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 71506900
N-[2-[4-[4-(butanoylamino)-2-methoxyphenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70238622
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-(6-iodo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 10325198
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67708219

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide (CID 23170136) is N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCNCC1)c1ccccn1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is ZRQCETPYVDSBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(16-6-2-1-3-7-16)22(17-8-4-5-9-20-17)15-14-21-12-10-19-11-13-21/h4-5,8-9,16,19H,1-3,6-7,10-15H2.
What are the key properties of N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide?
N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 23170136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).