N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide

C23H32N2O3 — CID 92633819

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CCNC(=O)CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1
InChIInChI=1S/C23H32N2O3/c1-28-19-5-2-4-17(14-19)6-11-24-21(26)15-18-7-12-25(13-8-18)22(27)20-16-23(20)9-3-10-23/h2,4-5,14,18,20H,3,6-13,15-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyQDKOMCHILUEXEF-HXUWFJFHSA-N
MW384.52 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide

N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide (PubChem CID 92633819) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide
PubChem CID92633819
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CCNC(=O)CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1
InChIInChI=1S/C23H32N2O3/c1-28-19-5-2-4-17(14-19)6-11-24-21(26)15-18-7-12-25(13-8-18)22(27)20-16-23(20)9-3-10-23/h2,4-5,14,18,20H,3,6-13,15-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyQDKOMCHILUEXEF-HXUWFJFHSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810
6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168104
2-[(1S)-cyclopent-2-en-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94028854
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 42065113
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78879212
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide (CID 92633819) is N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide is COc1cccc(CCNC(=O)CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is QDKOMCHILUEXEF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-28-19-5-2-4-17(14-19)6-11-24-21(26)15-18-7-12-25(13-8-18)22(27)20-16-23(20)9-3-10-23/h2,4-5,14,18,20H,3,6-13,15-16H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 92633819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).