[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C22H29N5O — CID 163344514

IUPAC[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CC1
InChIInChI=1S/C22H29N5O/c1-25-10-12-27(13-11-25)22(28)26-8-6-17(7-9-26)20-5-4-18-14-19(16-2-3-16)15-23-21(18)24-20/h4-5,14-17H,2-3,6-13H2,1H3
InChIKeyPSEZDBVHZAYLLD-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.05
Rot. Bonds2

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

[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 163344514) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID163344514
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CC1
InChIInChI=1S/C22H29N5O/c1-25-10-12-27(13-11-25)22(28)26-8-6-17(7-9-26)20-5-4-18-14-19(16-2-3-16)15-23-21(18)24-20/h4-5,14-17H,2-3,6-13H2,1H3
InChIKeyPSEZDBVHZAYLLD-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-ethylpiperidine-1-carboxamide
CID 163348230
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide
CID 163348357
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]-(1H-pyrazol-4-yl)methanone
CID 163348869
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 163349786
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 163348592
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163348733
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 163348070
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 66712036
2-cyclopropyl-6-methyl-1,8-naphthyridine
CID 56626435

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 163344514) is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CC1.
What is the InChIKey of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PSEZDBVHZAYLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-25-10-12-27(13-11-25)22(28)26-8-6-17(7-9-26)20-5-4-18-14-19(16-2-3-16)15-23-21(18)24-20/h4-5,14-17H,2-3,6-13H2,1H3.
What are the key properties of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 163344514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).