[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

C18H24N4O — CID 71913212

IUPAC[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(NCc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O/c1-2-22-13-16(12-20-22)18(23)21-10-6-9-17(14-21)19-11-15-7-4-3-5-8-15/h3-5,7-8,12-13,17,19H,2,6,9-11,14H2,1H3
InChIKeyJFDRWFLMFOLVKN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.30
Rot. Bonds5

About [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 71913212) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID71913212
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(NCc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O/c1-2-22-13-16(12-20-22)18(23)21-10-6-9-17(14-21)19-11-15-7-4-3-5-8-15/h3-5,7-8,12-13,17,19H,2,6,9-11,14H2,1H3
InChIKeyJFDRWFLMFOLVKN-UHFFFAOYSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124987763
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
(5S)-N-(1-benzoylpiperidin-3-yl)-7-(1-benzylpyrazole-4-carbonyl)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 164604898
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614

Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (CID 71913212) is [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CCCC(NCc3ccccc3)C2)cn1.
What is the InChIKey of [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is JFDRWFLMFOLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-22-13-16(12-20-22)18(23)21-10-6-9-17(14-21)19-11-15-7-4-3-5-8-15/h3-5,7-8,12-13,17,19H,2,6,9-11,14H2,1H3.
What are the key properties of [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 71913212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).