[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

C22H23N3O2 — CID 24790219

IUPAC[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCCn1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)cn1
InChIInChI=1S/C22H23N3O2/c1-2-25-15-20(13-23-25)22(27)24-11-5-8-19(14-24)21(26)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,2,5,8,11,14H2,1H3
InChIKeyZTJZHIWSSAIWIL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.79
Rot. Bonds4

About [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 24790219) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID24790219
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCCn1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)cn1
InChIInChI=1S/C22H23N3O2/c1-2-25-15-20(13-23-25)22(27)24-11-5-8-19(14-24)21(26)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,2,5,8,11,14H2,1H3
InChIKeyZTJZHIWSSAIWIL-UHFFFAOYSA-N
XLogP3.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 26319479
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 56914040
[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45245706
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (CID 24790219) is [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is CCn1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)cn1.
What is the InChIKey of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is ZTJZHIWSSAIWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-25-15-20(13-23-25)22(27)24-11-5-8-19(14-24)21(26)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,2,5,8,11,14H2,1H3.
What are the key properties of [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 24790219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).