N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide

C19H22N4O3 — CID 166409146

IUPACN-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C19H22N4O3/c1-4-16(24)21-15-7-5-14(6-8-15)17(25)23-11-9-19(3,10-12-23)18-20-13(2)22-26-18/h4-8H,1,9-12H2,2-3H3,(H,21,24)
InChIKeyDSEHYSSLRIEBGD-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.70
Rot. Bonds4

About N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 166409146) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID166409146
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C19H22N4O3/c1-4-16(24)21-15-7-5-14(6-8-15)17(25)23-11-9-19(3,10-12-23)18-20-13(2)22-26-18/h4-8H,1,9-12H2,2-3H3,(H,21,24)
InChIKeyDSEHYSSLRIEBGD-UHFFFAOYSA-N
XLogP2.70
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166409111
N-[4-(2,2-dimethyl-3-oxo-1-oxa-4,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
CID 166410814
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
N-[4-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)phenyl]prop-2-enamide
CID 166420494
1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 136522002
N-[4-[4-(3-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166411849
N-[4-[(3R)-3-[(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 152523570
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 119035596
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 81109311
N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387592
2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144770

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 166409146) is N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1.
What is the InChIKey of N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is DSEHYSSLRIEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-16(24)21-15-7-5-14(6-8-15)17(25)23-11-9-19(3,10-12-23)18-20-13(2)22-26-18/h4-8H,1,9-12H2,2-3H3,(H,21,24).
What are the key properties of N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166409146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).