1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

C21H23ClN4O2 — CID 163344936

IUPAC1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C21H23ClN4O2/c1-13-18(14(2)28-25-13)4-6-20(27)26-9-7-15(8-10-26)19-5-3-16-11-17(22)12-23-21(16)24-19/h3,5,11-12,15H,4,6-10H2,1-2H3
InChIKeyKXYJNMGICWTMRE-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.23
Rot. Bonds4

About 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 163344936) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID163344936
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C21H23ClN4O2/c1-13-18(14(2)28-25-13)4-6-20(27)26-9-7-15(8-10-26)19-5-3-16-11-17(22)12-23-21(16)24-19/h3,5,11-12,15H,4,6-10H2,1-2H3
InChIKeyKXYJNMGICWTMRE-UHFFFAOYSA-N
XLogP4.23
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one
CID 155799614
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155974863
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 163348070
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669
3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 163344965
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
CID 163344099
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 163344454
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 8639300
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124891839
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (CID 163344936) is 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1.
What is the InChIKey of 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is KXYJNMGICWTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13-18(14(2)28-25-13)4-6-20(27)26-9-7-15(8-10-26)19-5-3-16-11-17(22)12-23-21(16)24-19/h3,5,11-12,15H,4,6-10H2,1-2H3.
What are the key properties of 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 398.89 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 163344936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).