(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone

C13H25N3O — CID 82765902

IUPAC(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CCCC2N)CC1
InChIInChI=1S/C13H25N3O/c1-3-15-7-9-16(10-8-15)12(17)13(2)6-4-5-11(13)14/h11H,3-10,14H2,1-2H3
InChIKeyGVNIWERVEAVMPE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone

(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 82765902) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID82765902
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CCCC2N)CC1
InChIInChI=1S/C13H25N3O/c1-3-15-7-9-16(10-8-15)12(17)13(2)6-4-5-11(13)14/h11H,3-10,14H2,1-2H3
InChIKeyGVNIWERVEAVMPE-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 82768558
(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 82768525
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
1-(2-amino-1-methylcyclopentanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 82763485
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
CID 82767352
N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220062
(2-amino-1-methylcyclopentyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313977
[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
CID 82765009

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone (CID 82765902) is (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2(C)CCCC2N)CC1.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is GVNIWERVEAVMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15-7-9-16(10-8-15)12(17)13(2)6-4-5-11(13)14/h11H,3-10,14H2,1-2H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone?
(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82765902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).