(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C22H28N2O4 — CID 42393163

IUPAC(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3ccc(C)o3)CCC2=O)cc1
InChIInChI=1S/C22H28N2O4/c1-16-4-8-20(28-16)15-23(2)22(26)18-7-11-21(25)24(14-18)13-12-17-5-9-19(27-3)10-6-17/h4-6,8-10,18H,7,11-15H2,1-3H3/t18-/m0/s1
InChIKeyZNXZKCBPQPFRLM-SFHVURJKSA-N
MW384.48 g/mol
LogP3.04
Rot. Bonds7

About (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42393163) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID42393163
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3ccc(C)o3)CCC2=O)cc1
InChIInChI=1S/C22H28N2O4/c1-16-4-8-20(28-16)15-23(2)22(26)18-7-11-21(25)24(14-18)13-12-17-5-9-19(27-3)10-6-17/h4-6,8-10,18H,7,11-15H2,1-3H3/t18-/m0/s1
InChIKeyZNXZKCBPQPFRLM-SFHVURJKSA-N
XLogP3.04
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
CID 95230266
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95188778
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42215343
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90650561
1-[1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
CID 72899093
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791442

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 42393163) is (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3ccc(C)o3)CCC2=O)cc1.
What is the InChIKey of (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ZNXZKCBPQPFRLM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-4-8-20(28-16)15-23(2)22(26)18-7-11-21(25)24(14-18)13-12-17-5-9-19(27-3)10-6-17/h4-6,8-10,18H,7,11-15H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42393163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).