1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

C18H26N4O3 — CID 136521468

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCc3ncc([N+](=O)[O-])cc3C2)C1
InChIInChI=1S/C18H26N4O3/c1-12-6-13(2)10-21(9-12)18(23)14(3)20-5-4-17-15(11-20)7-16(8-19-17)22(24)25/h7-8,12-14H,4-6,9-11H2,1-3H3
InChIKeyRFORAPMMUOHZAO-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.24
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (PubChem CID 136521468) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
PubChem CID136521468
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCc3ncc([N+](=O)[O-])cc3C2)C1
InChIInChI=1S/C18H26N4O3/c1-12-6-13(2)10-21(9-12)18(23)14(3)20-5-4-17-15(11-20)7-16(8-19-17)22(24)25/h7-8,12-14H,4-6,9-11H2,1-3H3
InChIKeyRFORAPMMUOHZAO-UHFFFAOYSA-N
XLogP2.24
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
[(2R)-1-cyclopropylpyrrolidin-2-yl]-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 100703517
6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
CID 15462861
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 75517416
4-cyclopropyl-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentane-2,4-diol
CID 167753128
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107
tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 25260226
2-(1,2-benzoxazol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 75472817
(2-chloro-6-fluorophenyl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 84597542
(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75517412
3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 75447451
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (CID 136521468) is 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is CC1CC(C)CN(C(=O)C(C)N2CCc3ncc([N+](=O)[O-])cc3C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The InChIKey is RFORAPMMUOHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-6-13(2)10-21(9-12)18(23)14(3)20-5-4-17-15(11-20)7-16(8-19-17)22(24)25/h7-8,12-14H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one has a molecular weight of 346.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is sourced from PubChem (CID 136521468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).