(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone

C19H27N3O2 — CID 59105173

IUPAC(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone
SMILESCCN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-20-11-7-6-10-17(20)19(24)22-14-12-21(13-15-22)18(23)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3/t17-/m0/s1
InChIKeyLMKHOEGSFMYJOB-KRWDZBQOSA-N
MW329.44 g/mol
LogP1.85
Rot. Bonds3

About (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone

(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone (PubChem CID 59105173) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone
PubChem CID59105173
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone
SMILESCCN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-20-11-7-6-10-17(20)19(24)22-14-12-21(13-15-22)18(23)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3/t17-/m0/s1
InChIKeyLMKHOEGSFMYJOB-KRWDZBQOSA-N
XLogP1.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-ethylpiperidin-2-yl)methanone
CID 75405318
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
CID 10249422
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
[4-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 129481889
[4-[(1-benzoylpyrrolidin-3-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 127265903

Frequently Asked Questions

What is the IUPAC name of (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone?
The IUPAC name of (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone (CID 59105173) is (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone.
What is the SMILES notation for (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone?
The canonical SMILES for (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone is CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone?
The InChIKey is LMKHOEGSFMYJOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-20-11-7-6-10-17(20)19(24)22-14-12-21(13-15-22)18(23)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3/t17-/m0/s1.
What are the key properties of (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone?
(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone is sourced from PubChem (CID 59105173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).