N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

C19H25FN4O — CID 9205197

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCN(Cc2ccccc2F)CC1)C1CC1
InChIInChI=1S/C19H25FN4O/c1-19(14-21,16-6-7-16)22-18(25)13-24-10-8-23(9-11-24)12-15-4-2-3-5-17(15)20/h2-5,16H,6-13H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyLCAKOKSJTSXDSL-IBGZPJMESA-N
MW344.43 g/mol
LogP1.75
Rot. Bonds6

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9205197) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9205197
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCN(Cc2ccccc2F)CC1)C1CC1
InChIInChI=1S/C19H25FN4O/c1-19(14-21,16-6-7-16)22-18(25)13-24-10-8-23(9-11-24)12-15-4-2-3-5-17(15)20/h2-5,16H,6-13H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyLCAKOKSJTSXDSL-IBGZPJMESA-N
XLogP1.75
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436370
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130441
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7998536
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8934112
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771474
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31992247
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 9260289
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95308961
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide
CID 94814821
N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47082493
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 9205197) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is C[C@@](C#N)(NC(=O)CN1CCN(Cc2ccccc2F)CC1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is LCAKOKSJTSXDSL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN4O/c1-19(14-21,16-6-7-16)22-18(25)13-24-10-8-23(9-11-24)12-15-4-2-3-5-17(15)20/h2-5,16H,6-13H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9205197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).