2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride

C19H29Cl2N3O2 — CID 167823713

IUPAC2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride
SMILESCl.Cl.O=C1CCc2nc(N3CCC(C(O)C4CCNCC4)CC3)ccc21
InChIInChI=1S/C19H27N3O2.2ClH/c23-17-3-2-16-15(17)1-4-18(21-16)22-11-7-14(8-12-22)19(24)13-5-9-20-10-6-13;;/h1,4,13-14,19-20,24H,2-3,5-12H2;2*1H
InChIKeyJYZDEXVDRBJCIG-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.63
Rot. Bonds3

About 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride

2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride (PubChem CID 167823713) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride.

Molecular Properties

Compound Name2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride
PubChem CID167823713
Molecular FormulaC19H29Cl2N3O2
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Name2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride
SMILESCl.Cl.O=C1CCc2nc(N3CCC(C(O)C4CCNCC4)CC3)ccc21
InChIInChI=1S/C19H27N3O2.2ClH/c23-17-3-2-16-15(17)1-4-18(21-16)22-11-7-14(8-12-22)19(24)13-5-9-20-10-6-13;;/h1,4,13-14,19-20,24H,2-3,5-12H2;2*1H
InChIKeyJYZDEXVDRBJCIG-UHFFFAOYSA-N
XLogP2.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride?
The IUPAC name of 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride (CID 167823713) is 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride.
What is the SMILES notation for 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride?
The canonical SMILES for 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride is Cl.Cl.O=C1CCc2nc(N3CCC(C(O)C4CCNCC4)CC3)ccc21.
What is the InChIKey of 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride?
The InChIKey is JYZDEXVDRBJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.2ClH/c23-17-3-2-16-15(17)1-4-18(21-16)22-11-7-14(8-12-22)19(24)13-5-9-20-10-6-13;;/h1,4,13-14,19-20,24H,2-3,5-12H2;2*1H.
What are the key properties of 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride?
2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride has a molecular weight of 402.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(piperidin-4-yl)methyl]piperidin-1-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one;dihydrochloride is sourced from PubChem (CID 167823713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).