[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone

C19H25ClN2O4 — CID 133268223

IUPAC[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
SMILESCCO[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1O
InChIInChI=1S/C19H25ClN2O4/c1-2-26-17-12-22(11-16(17)23)18(24)13-7-9-21(10-8-13)19(25)14-5-3-4-6-15(14)20/h3-6,13,16-17,23H,2,7-12H2,1H3/t16-,17-/m1/s1
InChIKeyWJTYQCWTGWKXFR-IAGOWNOFSA-N
MW380.87 g/mol
LogP1.80
Rot. Bonds4

About [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone

[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 133268223) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID133268223
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
SMILESCCO[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1O
InChIInChI=1S/C19H25ClN2O4/c1-2-26-17-12-22(11-16(17)23)18(24)13-7-9-21(10-8-13)19(25)14-5-3-4-6-15(14)20/h3-6,13,16-17,23H,2,7-12H2,1H3/t16-,17-/m1/s1
InChIKeyWJTYQCWTGWKXFR-IAGOWNOFSA-N
XLogP1.80
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,5R,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 137345033
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
tert-butyl 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 31367642
[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17223347
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone;hydrochloride
CID 171686632
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone (CID 133268223) is [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone is CCO[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1O.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WJTYQCWTGWKXFR-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-2-26-17-12-22(11-16(17)23)18(24)13-7-9-21(10-8-13)19(25)14-5-3-4-6-15(14)20/h3-6,13,16-17,23H,2,7-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone?
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 380.87 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 133268223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).