(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone

C19H23N3O — CID 124886336

IUPAC(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cn1
InChIInChI=1S/C19H23N3O/c1-21-13-16(12-20-21)18(23)22-11-5-10-19(14-22)9-4-7-15-6-2-3-8-17(15)19/h2-3,6,8,12-13H,4-5,7,9-11,14H2,1H3/t19-/m1/s1
InChIKeyNFEYLOUFXFGXHA-LJQANCHMSA-N
MW309.41 g/mol
LogP2.93
Rot. Bonds1

About (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone

(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone (PubChem CID 124886336) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
PubChem CID124886336
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cn1
InChIInChI=1S/C19H23N3O/c1-21-13-16(12-20-21)18(23)22-11-5-10-19(14-22)9-4-7-15-6-2-3-8-17(15)19/h2-3,6,8,12-13H,4-5,7,9-11,14H2,1H3/t19-/m1/s1
InChIKeyNFEYLOUFXFGXHA-LJQANCHMSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
CID 136564429
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
CID 129466127
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone
CID 166373453
2-methyl-4-(2-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylethyl)phthalazin-1-one
CID 166231935
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 138017410
5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone (CID 124886336) is (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone is Cn1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone?
The InChIKey is NFEYLOUFXFGXHA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-13-16(12-20-21)18(23)22-11-5-10-19(14-22)9-4-7-15-6-2-3-8-17(15)19/h2-3,6,8,12-13H,4-5,7,9-11,14H2,1H3/t19-/m1/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone?
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 124886336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).