[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone

C19H22ClN3O — CID 163348070

IUPAC[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C19H22ClN3O/c1-19(2)10-15(19)18(24)23-7-5-12(6-8-23)16-4-3-13-9-14(20)11-21-17(13)22-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3
InChIKeyKHIWAVBWRHVJCK-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.04
Rot. Bonds2

About [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone

[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 163348070) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID163348070
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C19H22ClN3O/c1-19(2)10-15(19)18(24)23-7-5-12(6-8-23)16-4-3-13-9-14(20)11-21-17(13)22-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3
InChIKeyKHIWAVBWRHVJCK-UHFFFAOYSA-N
XLogP4.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 163344506
6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
CID 163344099
[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]-pyridin-2-ylmethanone
CID 163344454
3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 163344965
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
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 163344514
4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-ethylpiperidine-1-carboxamide
CID 163348230
(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284
1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 163345225
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 163349786

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 163348070) is [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1.
What is the InChIKey of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is KHIWAVBWRHVJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-19(2)10-15(19)18(24)23-7-5-12(6-8-23)16-4-3-13-9-14(20)11-21-17(13)22-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3.
What are the key properties of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 343.86 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 163348070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).