N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide

C25H34N4O2 — CID 67625685

IUPACN-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(N2CCNCC2)CCC(c2ccccc2OC)CC1)c1ccccn1
InChIInChI=1S/C25H34N4O2/c1-3-29(23-10-6-7-15-27-23)24(30)25(28-18-16-26-17-19-28)13-11-20(12-14-25)21-8-4-5-9-22(21)31-2/h4-10,15,20,26H,3,11-14,16-19H2,1-2H3
InChIKeyZWFLBMNYSDLPQB-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.44
Rot. Bonds6

About N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide

N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 67625685) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID67625685
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(N2CCNCC2)CCC(c2ccccc2OC)CC1)c1ccccn1
InChIInChI=1S/C25H34N4O2/c1-3-29(23-10-6-7-15-27-23)24(30)25(28-18-16-26-17-19-28)13-11-20(12-14-25)21-8-4-5-9-22(21)31-2/h4-10,15,20,26H,3,11-14,16-19H2,1-2H3
InChIKeyZWFLBMNYSDLPQB-UHFFFAOYSA-N
XLogP3.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
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
4-(2-methoxyphenyl)piperidine
CID 544738
1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one
CID 90962928
[2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134700249
N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
CID 23170136
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 67625685) is N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide is CCN(C(=O)C1(N2CCNCC2)CCC(c2ccccc2OC)CC1)c1ccccn1.
What is the InChIKey of N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZWFLBMNYSDLPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-3-29(23-10-6-7-15-27-23)24(30)25(28-18-16-26-17-19-28)13-11-20(12-14-25)21-8-4-5-9-22(21)31-2/h4-10,15,20,26H,3,11-14,16-19H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide?
N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 67625685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).