(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide

C15H20FN3O2 — CID 124968608

IUPAC(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CNCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2/c1-17-15(21)13-10-18-8-9-19(13)14(20)7-4-11-2-5-12(16)6-3-11/h2-3,5-6,13,18H,4,7-10H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyJCJICVCCAZGEBH-ZDUSSCGKSA-N
MW293.34 g/mol
LogP0.30
Rot. Bonds4

About (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide

(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide (PubChem CID 124968608) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
PubChem CID124968608
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CNCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2/c1-17-15(21)13-10-18-8-9-19(13)14(20)7-4-11-2-5-12(16)6-3-11/h2-3,5-6,13,18H,4,7-10H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyJCJICVCCAZGEBH-ZDUSSCGKSA-N
XLogP0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
CID 77100908
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
CID 77102017
(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
CID 95725095
1-[3-(4-methylphenyl)propanoyl]piperazine-2-carbonitrile
CID 79085483
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide (CID 124968608) is (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CNCCN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is JCJICVCCAZGEBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-17-15(21)13-10-18-8-9-19(13)14(20)7-4-11-2-5-12(16)6-3-11/h2-3,5-6,13,18H,4,7-10H2,1H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide?
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124968608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).