(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride

C17H31ClN2O — CID 119999346

IUPAC(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1(C(=O)N2CCC(C3CCCN3)CC2)CCCC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-2-17(9-3-4-10-17)16(20)19-12-7-14(8-13-19)15-6-5-11-18-15;/h14-15,18H,2-13H2,1H3;1H
InChIKeyLNPSOQFQUIUAEJ-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.37
Rot. Bonds3

About (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride

(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119999346) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119999346
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1(C(=O)N2CCC(C3CCCN3)CC2)CCCC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-2-17(9-3-4-10-17)16(20)19-12-7-14(8-13-19)15-6-5-11-18-15;/h14-15,18H,2-13H2,1H3;1H
InChIKeyLNPSOQFQUIUAEJ-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride (CID 119999346) is (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride is CCC1(C(=O)N2CCC(C3CCCN3)CC2)CCCC1.Cl.
What is the InChIKey of (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is LNPSOQFQUIUAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-2-17(9-3-4-10-17)16(20)19-12-7-14(8-13-19)15-6-5-11-18-15;/h14-15,18H,2-13H2,1H3;1H.
What are the key properties of (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119999346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).