(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile

C21H23N3O2 — CID 92510955

IUPAC(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
SMILESCOCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-16-17-7-9-19(10-8-17)21(25)24-13-11-23(12-14-24)20(15-22)18-5-3-2-4-6-18/h2-10,20H,11-14,16H2,1H3/t20-/m0/s1
InChIKeyGGYGOOGIDDVBRO-FQEVSTJZSA-N
MW349.43 g/mol
LogP2.86
Rot. Bonds5

About (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile

(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile (PubChem CID 92510955) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
PubChem CID92510955
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
SMILESCOCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-16-17-7-9-19(10-8-17)21(25)24-13-11-23(12-14-24)20(15-22)18-5-3-2-4-6-18/h2-10,20H,11-14,16H2,1H3/t20-/m0/s1
InChIKeyGGYGOOGIDDVBRO-FQEVSTJZSA-N
XLogP2.86
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
N-tert-butyl-4-[4-[cyano(phenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 112800740
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956
2-(4-ethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350465
2-[4-[4-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78823959
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349882
1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 36561721
2-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350309
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
methyl 4-[4-[(R)-cyano(phenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 51925867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile?
The IUPAC name of (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile (CID 92510955) is (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile is COCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile?
The InChIKey is GGYGOOGIDDVBRO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-16-17-7-9-19(10-8-17)21(25)24-13-11-23(12-14-24)20(15-22)18-5-3-2-4-6-18/h2-10,20H,11-14,16H2,1H3/t20-/m0/s1.
What are the key properties of (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile?
(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile has a molecular weight of 349.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile is sourced from PubChem (CID 92510955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).