[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

C18H26N2O — CID 119541574

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCNCC1CCN(C(=O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C18H26N2O/c1-19-13-15-9-12-20(14-15)17(21)18(10-5-6-11-18)16-7-3-2-4-8-16/h2-4,7-8,15,19H,5-6,9-14H2,1H3
InChIKeyFZWRWAJLNDFGSQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.57
Rot. Bonds4

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 119541574) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
PubChem CID119541574
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCNCC1CCN(C(=O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C18H26N2O/c1-19-13-15-9-12-20(14-15)17(21)18(10-5-6-11-18)16-7-3-2-4-8-16/h2-4,7-8,15,19H,5-6,9-14H2,1H3
InChIKeyFZWRWAJLNDFGSQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538567
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone (CID 119541574) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone is CNCC1CCN(C(=O)C2(c3ccccc3)CCCC2)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is FZWRWAJLNDFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-13-15-9-12-20(14-15)17(21)18(10-5-6-11-18)16-7-3-2-4-8-16/h2-4,7-8,15,19H,5-6,9-14H2,1H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 119541574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).