[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone

C22H29N5O2 — CID 51934537

IUPAC[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c28-22(19-5-4-10-27(18-19)21-17-23-8-9-24-21)26-13-11-25(12-14-26)15-16-29-20-6-2-1-3-7-20/h1-3,6-9,17,19H,4-5,10-16,18H2/t19-/m1/s1
InChIKeyVYYNFIRJGIYXHA-LJQANCHMSA-N
MW395.51 g/mol
LogP1.92
Rot. Bonds6

About [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone

[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone (PubChem CID 51934537) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
PubChem CID51934537
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c28-22(19-5-4-10-27(18-19)21-17-23-8-9-24-21)26-13-11-25(12-14-26)15-16-29-20-6-2-1-3-7-20/h1-3,6-9,17,19H,4-5,10-16,18H2/t19-/m1/s1
InChIKeyVYYNFIRJGIYXHA-LJQANCHMSA-N
XLogP1.92
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954799
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36998536
N-phenyl-2-[4-(1-pyrazin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 43062241
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90514850

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone (CID 51934537) is [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone is O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The InChIKey is VYYNFIRJGIYXHA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-22(19-5-4-10-27(18-19)21-17-23-8-9-24-21)26-13-11-25(12-14-26)15-16-29-20-6-2-1-3-7-20/h1-3,6-9,17,19H,4-5,10-16,18H2/t19-/m1/s1.
What are the key properties of [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 51934537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).