N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide

C25H38N2O2 — CID 45213997

IUPACN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCN1CCC(CN(C)C(=O)C2CC23CCCCC3)CC1
InChIInChI=1S/C25H38N2O2/c1-26(24(28)22-18-25(22)13-6-3-7-14-25)19-20-10-15-27(16-11-20)17-12-21-8-4-5-9-23(21)29-2/h4-5,8-9,20,22H,3,6-7,10-19H2,1-2H3
InChIKeyJGYUMJKXUWWNEQ-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.38
Rot. Bonds7

About N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide

N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide (PubChem CID 45213997) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
PubChem CID45213997
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCN1CCC(CN(C)C(=O)C2CC23CCCCC3)CC1
InChIInChI=1S/C25H38N2O2/c1-26(24(28)22-18-25(22)13-6-3-7-14-25)19-20-10-15-27(16-11-20)17-12-21-8-4-5-9-23(21)29-2/h4-5,8-9,20,22H,3,6-7,10-19H2,1-2H3
InChIKeyJGYUMJKXUWWNEQ-UHFFFAOYSA-N
XLogP4.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 45187565
(2S)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447069
(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447065
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154
1-[4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]ethanone
CID 25454138
(2S)-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]spiro[2.3]hexane-2-carboxamide
CID 42122512
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25379592
(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol
CID 42310496
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 45210723
1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 26391346

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide (CID 45213997) is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide is COc1ccccc1CCN1CCC(CN(C)C(=O)C2CC23CCCCC3)CC1.
What is the InChIKey of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
The InChIKey is JGYUMJKXUWWNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-26(24(28)22-18-25(22)13-6-3-7-14-25)19-20-10-15-27(16-11-20)17-12-21-8-4-5-9-23(21)29-2/h4-5,8-9,20,22H,3,6-7,10-19H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide has a molecular weight of 398.59 g/mol, XLogP of 4.38, 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-methylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45213997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).