(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide

C16H22N2O3 — CID 95230266

IUPAC(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O
InChIInChI=1S/C16H22N2O3/c1-4-9-18-10-13(6-8-15(18)19)16(20)17(3)11-14-7-5-12(2)21-14/h4-5,7,13H,1,6,8-11H2,2-3H3/t13-/m0/s1
InChIKeyPXQIFWQKQJZGGY-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds5

About (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide

(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide (PubChem CID 95230266) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
PubChem CID95230266
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O
InChIInChI=1S/C16H22N2O3/c1-4-9-18-10-13(6-8-15(18)19)16(20)17(3)11-14-7-5-12(2)21-14/h4-5,7,13H,1,6,8-11H2,2-3H3/t13-/m0/s1
InChIKeyPXQIFWQKQJZGGY-ZDUSSCGKSA-N
XLogP1.97
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42393163
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90650561
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
CID 46987569
(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96579526
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95188778
(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 31151033
1-(2-methylphenyl)-4-[(3S)-6-oxo-1-prop-2-enylpiperidine-3-carbonyl]piperazin-2-one
CID 96580849

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide (CID 95230266) is (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide is C=CCN1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O.
What is the InChIKey of (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is PXQIFWQKQJZGGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-9-18-10-13(6-8-15(18)19)16(20)17(3)11-14-7-5-12(2)21-14/h4-5,7,13H,1,6,8-11H2,2-3H3/t13-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 95230266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).