N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide

C23H34N2O2 — CID 25479629

IUPACN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide
SMILESCOc1ccccc1CCN1CCC(CN(C)C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C23H34N2O2/c1-24(23(26)21-9-4-3-5-10-21)18-19-12-15-25(16-13-19)17-14-20-8-6-7-11-22(20)27-2/h6-9,11,19H,3-5,10,12-18H2,1-2H3
InChIKeyJORNITSNYMURPW-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.91
Rot. Bonds7

About N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide

N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide (PubChem CID 25479629) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide
PubChem CID25479629
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide
SMILESCOc1ccccc1CCN1CCC(CN(C)C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C23H34N2O2/c1-24(23(26)21-9-4-3-5-10-21)18-19-12-15-25(16-13-19)17-14-20-8-6-7-11-22(20)27-2/h6-9,11,19H,3-5,10,12-18H2,1-2H3
InChIKeyJORNITSNYMURPW-UHFFFAOYSA-N
XLogP3.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Snc 80
CID 123924
Caproctamine
CID 10055202
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
2-(2-Methoxy-phenyl)-1-morpholin-4-yl-ethanone
CID 669556
Idaverine
CID 10341921
Ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazinecarboxylate
CID 694651
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
Cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2802380

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide (CID 25479629) is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide is COc1ccccc1CCN1CCC(CN(C)C(=O)C2=CCCCC2)CC1.
What is the InChIKey of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide?
The InChIKey is JORNITSNYMURPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-24(23(26)21-9-4-3-5-10-21)18-19-12-15-25(16-13-19)17-14-20-8-6-7-11-22(20)27-2/h6-9,11,19H,3-5,10,12-18H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide?
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 25479629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).