[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride

C16H23ClN2O2 — CID 119313382

IUPAC[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(C2CCN(C(=O)C3CCCN3)C2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-14-6-4-12(5-7-14)13-8-10-18(11-13)16(19)15-3-2-9-17-15;/h4-7,13,15,17H,2-3,8-11H2,1H3;1H
InChIKeyTUKMRQOFMMEJLI-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.18
Rot. Bonds3

About [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride

[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119313382) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119313382
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(C2CCN(C(=O)C3CCCN3)C2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-14-6-4-12(5-7-14)13-8-10-18(11-13)16(19)15-3-2-9-17-15;/h4-7,13,15,17H,2-3,8-11H2,1H3;1H
InChIKeyTUKMRQOFMMEJLI-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
(E)-1-(4-methoxyphenyl)-4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]but-2-ene-1,4-dione;hydrochloride
CID 167764036
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119766023
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride (CID 119313382) is [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride is COc1ccc(C2CCN(C(=O)C3CCCN3)C2)cc1.Cl.
What is the InChIKey of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is TUKMRQOFMMEJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-20-14-6-4-12(5-7-14)13-8-10-18(11-13)16(19)15-3-2-9-17-15;/h4-7,13,15,17H,2-3,8-11H2,1H3;1H.
What are the key properties of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119313382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).