(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

C21H26FN3O2 — CID 30642247

IUPAC(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-16(21(26)23-19-9-5-6-10-20(19)27-2)25-13-11-24(12-14-25)15-17-7-3-4-8-18(17)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyKQNYGXBKOHIDSM-MRXNPFEDSA-N
MW371.46 g/mol
LogP2.98
Rot. Bonds6

About (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 30642247) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID30642247
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-16(21(26)23-19-9-5-6-10-20(19)27-2)25-13-11-24(12-14-25)15-17-7-3-4-8-18(17)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyKQNYGXBKOHIDSM-MRXNPFEDSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8721291
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 8721161
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
4-[(2-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 19289754
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436296
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 30642247) is (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is KQNYGXBKOHIDSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16(21(26)23-19-9-5-6-10-20(19)27-2)25-13-11-24(12-14-25)15-17-7-3-4-8-18(17)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 30642247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).