[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone

C22H34N2O2 — CID 40776096

IUPAC[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1
InChIInChI=1S/C22H34N2O2/c1-2-17-26-21-11-8-9-19(18-21)22(25)24-15-7-4-10-20(24)12-16-23-13-5-3-6-14-23/h8-9,11,18,20H,2-7,10,12-17H2,1H3/t20-/m1/s1
InChIKeyCUFPPKQGAUNEED-HXUWFJFHSA-N
MW358.53 g/mol
LogP4.35
Rot. Bonds7

About [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone

[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone (PubChem CID 40776096) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
PubChem CID40776096
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1
InChIInChI=1S/C22H34N2O2/c1-2-17-26-21-11-8-9-19(18-21)22(25)24-15-7-4-10-20(24)12-16-23-13-5-3-6-14-23/h8-9,11,18,20H,2-7,10,12-17H2,1H3/t20-/m1/s1
InChIKeyCUFPPKQGAUNEED-HXUWFJFHSA-N
XLogP4.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
CID 45143493
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone?
The IUPAC name of [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone (CID 40776096) is [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1.
What is the InChIKey of [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone?
The InChIKey is CUFPPKQGAUNEED-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-17-26-21-11-8-9-19(18-21)22(25)24-15-7-4-10-20(24)12-16-23-13-5-3-6-14-23/h8-9,11,18,20H,2-7,10,12-17H2,1H3/t20-/m1/s1.
What are the key properties of [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone?
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone has a molecular weight of 358.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone is sourced from PubChem (CID 40776096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).