(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone

C17H23NO2 — CID 40606305

IUPAC(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2/t16-/m0/s1
InChIKeyPAGDCEHUKQBHQZ-INIZCTEOSA-N
MW273.38 g/mol
LogP2.65
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone

(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone (PubChem CID 40606305) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
PubChem CID40606305
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2/t16-/m0/s1
InChIKeyPAGDCEHUKQBHQZ-INIZCTEOSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 45224100
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637454
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone (CID 40606305) is (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone?
The InChIKey is PAGDCEHUKQBHQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2/t16-/m0/s1.
What are the key properties of (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone?
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 40606305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).