2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide

C20H35N3O2 — CID 119541337

IUPAC2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
SMILESCNCC1CCN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1
InChIInChI=1S/C20H35N3O2/c1-21-13-16-10-11-23(14-16)20(25)17-6-8-18(9-7-17)22-19(24)12-15-4-2-3-5-15/h15-18,21H,2-14H2,1H3,(H,22,24)
InChIKeyCBXSIGYXMWHOHZ-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.31
Rot. Bonds6

About 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide

2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide (PubChem CID 119541337) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
PubChem CID119541337
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
SMILESCNCC1CCN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1
InChIInChI=1S/C20H35N3O2/c1-21-13-16-10-11-23(14-16)20(25)17-6-8-18(9-7-17)22-19(24)12-15-4-2-3-5-15/h15-18,21H,2-14H2,1H3,(H,22,24)
InChIKeyCBXSIGYXMWHOHZ-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
CID 119637051
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119808786
methyl 2-[1-[4-[(2-piperidin-4-ylacetyl)amino]cyclohexanecarbonyl]piperidin-4-yl]acetate;hydrochloride
CID 67803341

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide (CID 119541337) is 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide is CNCC1CCN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)C1.
What is the InChIKey of 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide?
The InChIKey is CBXSIGYXMWHOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-21-13-16-10-11-23(14-16)20(25)17-6-8-18(9-7-17)22-19(24)12-15-4-2-3-5-15/h15-18,21H,2-14H2,1H3,(H,22,24).
What are the key properties of 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide?
2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide has a molecular weight of 349.52 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide is sourced from PubChem (CID 119541337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).