1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride

C16H24Cl2N4O3 — CID 67498576

IUPAC1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
SMILESCOc1cnc2ccc(=O)n(CCN3CC[C@@H](N)[C@@H](O)C3)c2c1.Cl.Cl
InChIInChI=1S/C16H22N4O3.2ClH/c1-23-11-8-14-13(18-9-11)2-3-16(22)20(14)7-6-19-5-4-12(17)15(21)10-19;;/h2-3,8-9,12,15,21H,4-7,10,17H2,1H3;2*1H/t12-,15+;;/m1../s1
InChIKeyRYNUEOGCZACBFL-KJWOGLQMSA-N
MW391.30 g/mol
LogP0.64
Rot. Bonds4

About 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride

1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride (PubChem CID 67498576) has the molecular formula C16H24Cl2N4O3 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
PubChem CID67498576
Molecular FormulaC16H24Cl2N4O3
Molecular Weight391.30 g/mol
Exact Mass390.12
IUPAC Name1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
SMILESCOc1cnc2ccc(=O)n(CCN3CC[C@@H](N)[C@@H](O)C3)c2c1.Cl.Cl
InChIInChI=1S/C16H22N4O3.2ClH/c1-23-11-8-14-13(18-9-11)2-3-16(22)20(14)7-6-19-5-4-12(17)15(21)10-19;;/h2-3,8-9,12,15,21H,4-7,10,17H2,1H3;2*1H/t12-,15+;;/m1../s1
InChIKeyRYNUEOGCZACBFL-KJWOGLQMSA-N
XLogP0.64
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 172706824
tert-butyl N-[(3S,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 68993144
tert-butyl-[(3S,4R)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 67996141
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68854977
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
CID 59398367
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 158471847
tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 86642274
4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide
CID 127039737

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride?
The IUPAC name of 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride (CID 67498576) is 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride is COc1cnc2ccc(=O)n(CCN3CC[C@@H](N)[C@@H](O)C3)c2c1.Cl.Cl.
What is the InChIKey of 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride?
The InChIKey is RYNUEOGCZACBFL-KJWOGLQMSA-N. The full InChI is InChI=1S/C16H22N4O3.2ClH/c1-23-11-8-14-13(18-9-11)2-3-16(22)20(14)7-6-19-5-4-12(17)15(21)10-19;;/h2-3,8-9,12,15,21H,4-7,10,17H2,1H3;2*1H/t12-,15+;;/m1../s1.
What are the key properties of 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride?
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride has a molecular weight of 391.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride is sourced from PubChem (CID 67498576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).