(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C27H35N3O5 — CID 92653033

IUPAC(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2[C@H](C(=O)NCCCN3CCOCC3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H35N3O5/c1-33-22-8-4-20(5-9-22)26-24(27(32)28-14-3-15-29-16-18-35-19-17-29)12-13-25(31)30(26)21-6-10-23(34-2)11-7-21/h4-11,24,26H,3,12-19H2,1-2H3,(H,28,32)/t24-,26?/m1/s1
InChIKeyUPTSSXWPAKXHFJ-RMVMEJTISA-N
MW481.59 g/mol
LogP3.03
Rot. Bonds9

About (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 92653033) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID92653033
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Name(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2[C@H](C(=O)NCCCN3CCOCC3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H35N3O5/c1-33-22-8-4-20(5-9-22)26-24(27(32)28-14-3-15-29-16-18-35-19-17-29)12-13-25(31)30(26)21-6-10-23(34-2)11-7-21/h4-11,24,26H,3,12-19H2,1-2H3,(H,28,32)/t24-,26?/m1/s1
InChIKeyUPTSSXWPAKXHFJ-RMVMEJTISA-N
XLogP3.03
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 15994143
1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 55596931
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
(3R)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294283
(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294281
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
(2S,3R)-2-(4-methoxyphenyl)-N-(3-methylbutyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 92653117
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 92653033) is (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2[C@H](C(=O)NCCCN3CCOCC3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UPTSSXWPAKXHFJ-RMVMEJTISA-N. The full InChI is InChI=1S/C27H35N3O5/c1-33-22-8-4-20(5-9-22)26-24(27(32)28-14-3-15-29-16-18-35-19-17-29)12-13-25(31)30(26)21-6-10-23(34-2)11-7-21/h4-11,24,26H,3,12-19H2,1-2H3,(H,28,32)/t24-,26?/m1/s1.
What are the key properties of (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 92653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).