[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

C17H24N2O2 — CID 104913273

IUPAC[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(12-14)16-9-5-11-19(16)17(20)15-8-2-3-10-18-15/h4,6-7,12,15-16,18H,2-3,5,8-11H2,1H3/t15-,16?/m1/s1
InChIKeyXCCAYPFVMDDSGM-AAFJCEBUSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds3

About [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 104913273) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID104913273
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(12-14)16-9-5-11-19(16)17(20)15-8-2-3-10-18-15/h4,6-7,12,15-16,18H,2-3,5,8-11H2,1H3/t15-,16?/m1/s1
InChIKeyXCCAYPFVMDDSGM-AAFJCEBUSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 122137368
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95715803
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119700018
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119700017
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 104913273) is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is COc1cccc(C2CCCN2C(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is XCCAYPFVMDDSGM-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(12-14)16-9-5-11-19(16)17(20)15-8-2-3-10-18-15/h4,6-7,12,15-16,18H,2-3,5,8-11H2,1H3/t15-,16?/m1/s1.
What are the key properties of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 104913273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).