(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone

C20H23N3O2 — CID 136564429

IUPAC(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC3(CCCc4ccccc43)C2)ncn1
InChIInChI=1S/C20H23N3O2/c1-25-18-12-17(21-14-22-18)19(24)23-11-5-10-20(13-23)9-4-7-15-6-2-3-8-16(15)20/h2-3,6,8,12,14H,4-5,7,9-11,13H2,1H3
InChIKeyDJXRUJZJOVQHLY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds2

About (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone

(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone (PubChem CID 136564429) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
PubChem CID136564429
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC3(CCCc4ccccc43)C2)ncn1
InChIInChI=1S/C20H23N3O2/c1-25-18-12-17(21-14-22-18)19(24)23-11-5-10-20(13-23)9-4-7-15-6-2-3-8-16(15)20/h2-3,6,8,12,14H,4-5,7,9-11,13H2,1H3
InChIKeyDJXRUJZJOVQHLY-UHFFFAOYSA-N
XLogP3.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone (CID 136564429) is (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone is COc1cc(C(=O)N2CCCC3(CCCc4ccccc43)C2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone?
The InChIKey is DJXRUJZJOVQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-12-17(21-14-22-18)19(24)23-11-5-10-20(13-23)9-4-7-15-6-2-3-8-16(15)20/h2-3,6,8,12,14H,4-5,7,9-11,13H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone?
(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 136564429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).