1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide

C14H19N3O3 — CID 82830583

IUPAC1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H19N3O3/c1-9-10(4-3-5-12(9)18)14(20)17-7-6-16-8-11(17)13(19)15-2/h3-5,11,16,18H,6-8H2,1-2H3,(H,15,19)
InChIKeyPYMUXDWMKCOEHL-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.14
Rot. Bonds2

About 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide

1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 82830583) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID82830583
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H19N3O3/c1-9-10(4-3-5-12(9)18)14(20)17-7-6-16-8-11(17)13(19)15-2/h3-5,11,16,18H,6-8H2,1-2H3,(H,15,19)
InChIKeyPYMUXDWMKCOEHL-UHFFFAOYSA-N
XLogP-0.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
CID 107963609
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 115999662
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
CID 77102017
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
N-methyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83193491
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide (CID 82830583) is 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1cccc(O)c1C.
What is the InChIKey of 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is PYMUXDWMKCOEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-10(4-3-5-12(9)18)14(20)17-7-6-16-8-11(17)13(19)15-2/h3-5,11,16,18H,6-8H2,1-2H3,(H,15,19).
What are the key properties of 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 82830583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).