N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide

C16H17Cl2N3O3 — CID 166412320

IUPACN-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1CCCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-2-14(22)19-9-15(23)20-12-4-3-7-21(16(12)24)13-6-5-10(17)8-11(13)18/h2,5-6,8,12H,1,3-4,7,9H2,(H,19,22)(H,20,23)
InChIKeyYUHAOIMTGHYQKI-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.91
Rot. Bonds5

About N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide

N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide (PubChem CID 166412320) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide
PubChem CID166412320
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC NameN-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1CCCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-2-14(22)19-9-15(23)20-12-4-3-7-21(16(12)24)13-6-5-10(17)8-11(13)18/h2,5-6,8,12H,1,3-4,7,9H2,(H,19,22)(H,20,23)
InChIKeyYUHAOIMTGHYQKI-UHFFFAOYSA-N
XLogP1.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
CID 124850811
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 164637890
N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
CID 166411468
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 107639769
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330664
(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331026
2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide
CID 86798243
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide (CID 166412320) is N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1CCCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is YUHAOIMTGHYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-2-14(22)19-9-15(23)20-12-4-3-7-21(16(12)24)13-6-5-10(17)8-11(13)18/h2,5-6,8,12H,1,3-4,7,9H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide?
N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 370.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166412320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).