N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide

C28H44N2O2 — CID 45206163

IUPACN-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESCc1ccccc1CCN1CCC(CN(C(=O)C2CCOC(C)(C)C2)C2CCCC2)CC1
InChIInChI=1S/C28H44N2O2/c1-22-8-4-5-9-24(22)14-18-29-16-12-23(13-17-29)21-30(26-10-6-7-11-26)27(31)25-15-19-32-28(2,3)20-25/h4-5,8-9,23,25-26H,6-7,10-21H2,1-3H3
InChIKeyMLNBGNUUDUHRKX-UHFFFAOYSA-N
MW440.67 g/mol
LogP5.23
Rot. Bonds7

About N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide

N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide (PubChem CID 45206163) has the molecular formula C28H44N2O2 and a molecular weight of 440.67 g/mol. Its IUPAC name is N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
PubChem CID45206163
Molecular FormulaC28H44N2O2
Molecular Weight440.67 g/mol
Exact Mass440.34
IUPAC NameN-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESCc1ccccc1CCN1CCC(CN(C(=O)C2CCOC(C)(C)C2)C2CCCC2)CC1
InChIInChI=1S/C28H44N2O2/c1-22-8-4-5-9-24(22)14-18-29-16-12-23(13-17-29)21-30(26-10-6-7-11-26)27(31)25-15-19-32-28(2,3)20-25/h4-5,8-9,23,25-26H,6-7,10-21H2,1-3H3
InChIKeyMLNBGNUUDUHRKX-UHFFFAOYSA-N
XLogP5.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
CID 25386243
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
(2R)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97279230
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
N-cyclopentyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 42394443
N-cyclopentyl-4,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45221890
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42212425
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide (CID 45206163) is N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide is Cc1ccccc1CCN1CCC(CN(C(=O)C2CCOC(C)(C)C2)C2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is MLNBGNUUDUHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O2/c1-22-8-4-5-9-24(22)14-18-29-16-12-23(13-17-29)21-30(26-10-6-7-11-26)27(31)25-15-19-32-28(2,3)20-25/h4-5,8-9,23,25-26H,6-7,10-21H2,1-3H3.
What are the key properties of N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide?
N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 440.67 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 45206163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).