(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone

C19H21NO2 — CID 740543

IUPAC(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C19H21NO2/c1-22-18-11-5-9-16(13-18)19(21)20-12-6-10-17(14-20)15-7-3-2-4-8-15/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3/t17-/m0/s1
InChIKeySBCRDKRHZZAZNS-KRWDZBQOSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds3

About (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone

(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone (PubChem CID 740543) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
PubChem CID740543
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C19H21NO2/c1-22-18-11-5-9-16(13-18)19(21)20-12-6-10-17(14-20)15-7-3-2-4-8-15/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3/t17-/m0/s1
InChIKeySBCRDKRHZZAZNS-KRWDZBQOSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
CID 121146989
2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid
CID 90154939
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 110225032
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[3-(dimethylamino)phenyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168601
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
5-[(3R)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94088680

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone (CID 740543) is (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
The InChIKey is SBCRDKRHZZAZNS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-11-5-9-16(13-18)19(21)20-12-6-10-17(14-20)15-7-3-2-4-8-15/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3/t17-/m0/s1.
What are the key properties of (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone has a molecular weight of 295.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 740543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).