N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide

C16H19N3O3 — CID 154794332

IUPACN-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)C(C)C2)cc1
InChIInChI=1S/C16H19N3O3/c1-4-14(20)17-13-7-5-12(6-8-13)16(22)19-9-11(2)18(3)15(21)10-19/h4-8,11H,1,9-10H2,2-3H3,(H,17,20)
InChIKeyNCIBNFXNONTXDE-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.11
Rot. Bonds3

About N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide

N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 154794332) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID154794332
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)C(C)C2)cc1
InChIInChI=1S/C16H19N3O3/c1-4-14(20)17-13-7-5-12(6-8-13)16(22)19-9-11(2)18(3)15(21)10-19/h4-8,11H,1,9-10H2,2-3H3,(H,17,20)
InChIKeyNCIBNFXNONTXDE-UHFFFAOYSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methyl-7-phenyl-1,4-oxazepane-4-carbonyl)phenyl]prop-2-enamide
CID 166408583
N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
N-[4-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)phenyl]prop-2-enamide
CID 166420494
N-[4-(8-acetamido-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]prop-2-enamide
CID 166411781
N-[4-[(3R)-3-[(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 152523570
N-[4-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166409111
N-[4-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166409129
N-[4-(1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]prop-2-enamide
CID 166403637
N-[4-[(3S,4R)-3-methyl-4-(quinazolin-2-ylamino)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 150337889
N-[4-[4-(3-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166411849
N-[4-[3-(3,5-difluorophenyl)-3-hydroxyazetidine-1-carbonyl]phenyl]prop-2-enamide
CID 166411790

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide (CID 154794332) is N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)C(C)C2)cc1.
What is the InChIKey of N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is NCIBNFXNONTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-14(20)17-13-7-5-12(6-8-13)16(22)19-9-11(2)18(3)15(21)10-19/h4-8,11H,1,9-10H2,2-3H3,(H,17,20).
What are the key properties of N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide?
N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethyl-5-oxopiperazine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 154794332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).