1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one

C19H25ClN2O3 — CID 42305900

IUPAC1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
SMILESCc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CCN2CCCO2)C1
InChIInChI=1S/C19H25ClN2O3/c1-14-12-16(20)5-6-17(14)19(24)15-4-2-8-21(13-15)18(23)7-10-22-9-3-11-25-22/h5-6,12,15H,2-4,7-11,13H2,1H3/t15-/m1/s1
InChIKeyKKPANKSVQSMIKU-OAHLLOKOSA-N
MW364.87 g/mol
LogP3.10
Rot. Bonds5

About 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one

1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 42305900) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
PubChem CID42305900
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
SMILESCc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CCN2CCCO2)C1
InChIInChI=1S/C19H25ClN2O3/c1-14-12-16(20)5-6-17(14)19(24)15-4-2-8-21(13-15)18(23)7-10-22-9-3-11-25-22/h5-6,12,15H,2-4,7-11,13H2,1H3/t15-/m1/s1
InChIKeyKKPANKSVQSMIKU-OAHLLOKOSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one with MolForge

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Related Compounds

1-[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42217114
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 42516122
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
2-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-2-oxo-N-phenylacetamide
CID 56901095
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25377133
1-[2-[(4-chloro-2-methylbenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689295
methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate
CID 42245196
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
N-[4-[[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26407394
1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 26395084
[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(4-chloro-2-methylphenyl)methanone
CID 45169417

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one (CID 42305900) is 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one is Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CCN2CCCO2)C1.
What is the InChIKey of 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is KKPANKSVQSMIKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-14-12-16(20)5-6-17(14)19(24)15-4-2-8-21(13-15)18(23)7-10-22-9-3-11-25-22/h5-6,12,15H,2-4,7-11,13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 364.87 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 42305900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).