N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C27H34N2O4 — CID 56505177

IUPACN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCOc1cc(C(C)NC(=O)C(c2ccccc2)N2CCCCC2=O)ccc1OC1CCCC1
InChIInChI=1S/C27H34N2O4/c1-19(21-15-16-23(24(18-21)32-2)33-22-12-6-7-13-22)28-27(31)26(20-10-4-3-5-11-20)29-17-9-8-14-25(29)30/h3-5,10-11,15-16,18-19,22,26H,6-9,12-14,17H2,1-2H3,(H,28,31)
InChIKeyQQQLYPKJOVUIGH-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.95
Rot. Bonds8

About N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505177) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505177
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCOc1cc(C(C)NC(=O)C(c2ccccc2)N2CCCCC2=O)ccc1OC1CCCC1
InChIInChI=1S/C27H34N2O4/c1-19(21-15-16-23(24(18-21)32-2)33-22-12-6-7-13-22)28-27(31)26(20-10-4-3-5-11-20)29-17-9-8-14-25(29)30/h3-5,10-11,15-16,18-19,22,26H,6-9,12-14,17H2,1-2H3,(H,28,31)
InChIKeyQQQLYPKJOVUIGH-UHFFFAOYSA-N
XLogP4.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505683
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 56515947
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124590772
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577903
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505177) is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is COc1cc(C(C)NC(=O)C(c2ccccc2)N2CCCCC2=O)ccc1OC1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is QQQLYPKJOVUIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-19(21-15-16-23(24(18-21)32-2)33-22-12-6-7-13-22)28-27(31)26(20-10-4-3-5-11-20)29-17-9-8-14-25(29)30/h3-5,10-11,15-16,18-19,22,26H,6-9,12-14,17H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 450.58 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).