(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C19H21ClN2O2 — CID 96577943

IUPAC(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-7-16(20)10-18(14)19(23)22-9-3-5-17(12-22)24-13-15-4-2-8-21-11-15/h2,4,6-8,10-11,17H,3,5,9,12-13H2,1H3/t17-/m1/s1
InChIKeyUNMVPNBDXNXETE-QGZVFWFLSA-N
MW344.84 g/mol
LogP3.86
Rot. Bonds4

About (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 96577943) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID96577943
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-7-16(20)10-18(14)19(23)22-9-3-5-17(12-22)24-13-15-4-2-8-21-11-15/h2,4,6-8,10-11,17H,3,5,9,12-13H2,1H3/t17-/m1/s1
InChIKeyUNMVPNBDXNXETE-QGZVFWFLSA-N
XLogP3.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 70786365
(5-fluoro-2-methylphenyl)-[(3S)-3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96529742
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70721344
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 72853895
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131895658

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 96577943) is (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is Cc1ccc(Cl)cc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1.
What is the InChIKey of (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is UNMVPNBDXNXETE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-6-7-16(20)10-18(14)19(23)22-9-3-5-17(12-22)24-13-15-4-2-8-21-11-15/h2,4,6-8,10-11,17H,3,5,9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 344.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 96577943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).