1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide

C15H18FN3O2 — CID 77100908

IUPAC1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-17-15(21)13-10-18-8-9-19(13)14(20)7-4-11-2-5-12(16)6-3-11/h2-7,13,18H,8-10H2,1H3,(H,17,21)
InChIKeyHORYUKLDANJLQJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.39
Rot. Bonds3

About 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide

1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide (PubChem CID 77100908) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
PubChem CID77100908
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-17-15(21)13-10-18-8-9-19(13)14(20)7-4-11-2-5-12(16)6-3-11/h2-7,13,18H,8-10H2,1H3,(H,17,21)
InChIKeyHORYUKLDANJLQJ-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.39
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-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
CID 77102017
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897286
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
(E)-3-(4-chlorophenyl)-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 82704903
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide (CID 77100908) is 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is HORYUKLDANJLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-17-15(21)13-10-18-8-9-19(13)14(20)7-4-11-2-5-12(16)6-3-11/h2-7,13,18H,8-10H2,1H3,(H,17,21).
What are the key properties of 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide?
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 77100908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).