[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone

C22H27NO2 — CID 121479156

IUPAC[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc12
InChIInChI=1S/C22H27NO2/c1-15-10-11-23(13-16-6-7-16)14-20(15)22(24)18-8-9-19-17(12-18)4-3-5-21(19)25-2/h3-5,8-9,12,15-16,20H,6-7,10-11,13-14H2,1-2H3/t15-,20+/m1/s1
InChIKeyANLDPHOWYDOFHS-QRWLVFNGSA-N
MW337.46 g/mol
LogP4.40
Rot. Bonds5

About [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone

[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone (PubChem CID 121479156) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone
PubChem CID121479156
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc12
InChIInChI=1S/C22H27NO2/c1-15-10-11-23(13-16-6-7-16)14-20(15)22(24)18-8-9-19-17(12-18)4-3-5-21(19)25-2/h3-5,8-9,12,15-16,20H,6-7,10-11,13-14H2,1-2H3/t15-,20+/m1/s1
InChIKeyANLDPHOWYDOFHS-QRWLVFNGSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479056
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221
6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile
CID 121479047
[2-chloro-3-[1-(cyclopropylmethyl)-5-(5-phenoxynaphthalene-2-carbonyl)piperidin-3-yl]phenyl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 134204237
methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
CID 129493931
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone (CID 121479156) is [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone is COc1cccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc12.
What is the InChIKey of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone?
The InChIKey is ANLDPHOWYDOFHS-QRWLVFNGSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-10-11-23(13-16-6-7-16)14-20(15)22(24)18-8-9-19-17(12-18)4-3-5-21(19)25-2/h3-5,8-9,12,15-16,20H,6-7,10-11,13-14H2,1-2H3/t15-,20+/m1/s1.
What are the key properties of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone?
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 121479156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).