N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide

C19H25ClN2O3 — CID 46987569

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)N(CC)Cc2cc(Cl)ccc2OC)CCC1=O
InChIInChI=1S/C19H25ClN2O3/c1-4-10-22-12-14(6-9-18(22)23)19(24)21(5-2)13-15-11-16(20)7-8-17(15)25-3/h4,7-8,11,14H,1,5-6,9-10,12-13H2,2-3H3
InChIKeyFWGZPCABLWDUCR-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.12
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide (PubChem CID 46987569) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
PubChem CID46987569
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)N(CC)Cc2cc(Cl)ccc2OC)CCC1=O
InChIInChI=1S/C19H25ClN2O3/c1-4-10-22-12-14(6-9-18(22)23)19(24)21(5-2)13-15-11-16(20)7-8-17(15)25-3/h4,7-8,11,14H,1,5-6,9-10,12-13H2,2-3H3
InChIKeyFWGZPCABLWDUCR-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.12
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

(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
N-ethyl-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 72866013
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55594663
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
CID 46985161
(3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-prop-2-enylpiperidine-3-carboxamide
CID 95230266
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206435
1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide
CID 3785342
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
CID 42402554
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 45173004
ethyl 2-[3-[4-[(4-chlorobenzoyl)amino]-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenoxy]-4-methoxyphenyl]acetate
CID 58288521
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide (CID 46987569) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide is C=CCN1CC(C(=O)N(CC)Cc2cc(Cl)ccc2OC)CCC1=O.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is FWGZPCABLWDUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-4-10-22-12-14(6-9-18(22)23)19(24)21(5-2)13-15-11-16(20)7-8-17(15)25-3/h4,7-8,11,14H,1,5-6,9-10,12-13H2,2-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-6-oxo-1-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 46987569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).