(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide

C19H26FN3O2 — CID 125441244

IUPAC(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCC1(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-19(8-3-2-4-9-19)13-22-18(25)23-11-10-21-17(24)16(23)14-6-5-7-15(20)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyBPRDIHOFDMZKOJ-MRXNPFEDSA-N
MW347.43 g/mol
LogP2.98
Rot. Bonds3

About (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide

(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 125441244) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
PubChem CID125441244
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCC1(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H26FN3O2/c1-19(8-3-2-4-9-19)13-22-18(25)23-11-10-21-17(24)16(23)14-6-5-7-15(20)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyBPRDIHOFDMZKOJ-MRXNPFEDSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
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(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
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(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide (CID 125441244) is (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide is CC1(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)CCCCC1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is BPRDIHOFDMZKOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-19(8-3-2-4-9-19)13-22-18(25)23-11-10-21-17(24)16(23)14-6-5-7-15(20)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide?
(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125441244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).