(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

C13H22N4O — CID 66121216

IUPAC(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(N)C2)n(CC)n1
InChIInChI=1S/C13H22N4O/c1-3-11-8-12(17(4-2)15-11)13(18)16-7-5-6-10(14)9-16/h8,10H,3-7,9,14H2,1-2H3
InChIKeyNVDIJWCNESQMJS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.03
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 66121216) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID66121216
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCCC(N)C2)n(CC)n1
InChIInChI=1S/C13H22N4O/c1-3-11-8-12(17(4-2)15-11)13(18)16-7-5-6-10(14)9-16/h8,10H,3-7,9,14H2,1-2H3
InChIKeyNVDIJWCNESQMJS-UHFFFAOYSA-N
XLogP1.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 81210449
(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121428
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66122570
(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (CID 66121216) is (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCCC(N)C2)n(CC)n1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is NVDIJWCNESQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-8-12(17(4-2)15-11)13(18)16-7-5-6-10(14)9-16/h8,10H,3-7,9,14H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 66121216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).