[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

C17H31N5O — CID 56899449

IUPAC[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCC(N(C)CCN(C)C)C1
InChIInChI=1S/C17H31N5O/c1-5-10-22-16(8-9-18-22)17(23)21-11-6-7-15(14-21)20(4)13-12-19(2)3/h8-9,15H,5-7,10-14H2,1-4H3
InChIKeyFZFYZXIXBWQERP-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.39
Rot. Bonds7

About [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 56899449) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
PubChem CID56899449
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCC(N(C)CCN(C)C)C1
InChIInChI=1S/C17H31N5O/c1-5-10-22-16(8-9-18-22)17(23)21-11-6-7-15(14-21)20(4)13-12-19(2)3/h8-9,15H,5-7,10-14H2,1-4H3
InChIKeyFZFYZXIXBWQERP-UHFFFAOYSA-N
XLogP1.39
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 39855081
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56861522
[(3S)-3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 95716910
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 72930631
3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19491999
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide
CID 92634378

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (CID 56899449) is [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1CCCC(N(C)CCN(C)C)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is FZFYZXIXBWQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-5-10-22-16(8-9-18-22)17(23)21-11-6-7-15(14-21)20(4)13-12-19(2)3/h8-9,15H,5-7,10-14H2,1-4H3.
What are the key properties of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 321.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 56899449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).