2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride

C17H33Cl2N3O2 — CID 119460279

IUPAC2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1(N2CCOCC2)CCCC1)NCC1CCCNC1
InChIInChI=1S/C17H31N3O2.2ClH/c21-16(19-14-15-4-3-7-18-13-15)12-17(5-1-2-6-17)20-8-10-22-11-9-20;;/h15,18H,1-14H2,(H,19,21);2*1H
InChIKeyYQSBERWRIUXXNW-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.98
Rot. Bonds5

About 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride

2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride (PubChem CID 119460279) has the molecular formula C17H33Cl2N3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
PubChem CID119460279
Molecular FormulaC17H33Cl2N3O2
Molecular Weight382.38 g/mol
Exact Mass381.19
IUPAC Name2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1(N2CCOCC2)CCCC1)NCC1CCCNC1
InChIInChI=1S/C17H31N3O2.2ClH/c21-16(19-14-15-4-3-7-18-13-15)12-17(5-1-2-6-17)20-8-10-22-11-9-20;;/h15,18H,1-14H2,(H,19,21);2*1H
InChIKeyYQSBERWRIUXXNW-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride (CID 119460279) is 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1(N2CCOCC2)CCCC1)NCC1CCCNC1.
What is the InChIKey of 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
The InChIKey is YQSBERWRIUXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.2ClH/c21-16(19-14-15-4-3-7-18-13-15)12-17(5-1-2-6-17)20-8-10-22-11-9-20;;/h15,18H,1-14H2,(H,19,21);2*1H.
What are the key properties of 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride has a molecular weight of 382.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylcyclopentyl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119460279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).