[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone

C20H30N2O2 — CID 97188979

IUPAC[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)[C@@H]2CCCCCN2C)CC1
InChIInChI=1S/C20H30N2O2/c1-21-13-7-3-4-9-18(21)20(23)22-14-11-16(12-15-22)17-8-5-6-10-19(17)24-2/h5-6,8,10,16,18H,3-4,7,9,11-15H2,1-2H3/t18-/m0/s1
InChIKeyPRHWBULPRVEFMN-SFHVURJKSA-N
MW330.47 g/mol
LogP3.28
Rot. Bonds3

About [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone

[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone (PubChem CID 97188979) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
PubChem CID97188979
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)[C@@H]2CCCCCN2C)CC1
InChIInChI=1S/C20H30N2O2/c1-21-13-7-3-4-9-18(21)20(23)22-14-11-16(12-15-22)17-8-5-6-10-19(17)24-2/h5-6,8,10,16,18H,3-4,7,9,11-15H2,1-2H3/t18-/m0/s1
InChIKeyPRHWBULPRVEFMN-SFHVURJKSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 124843037
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56887966
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone (CID 97188979) is [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone is COc1ccccc1C1CCN(C(=O)[C@@H]2CCCCCN2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
The InChIKey is PRHWBULPRVEFMN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-21-13-7-3-4-9-18(21)20(23)22-14-11-16(12-15-22)17-8-5-6-10-19(17)24-2/h5-6,8,10,16,18H,3-4,7,9,11-15H2,1-2H3/t18-/m0/s1.
What are the key properties of [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone?
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone has a molecular weight of 330.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone is sourced from PubChem (CID 97188979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).