3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C20H28ClN5O2 — CID 120579938

IUPAC3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C20H27N5O2.ClH/c1-15-18(14-25(23-15)16-7-3-2-4-8-16)20(27)24-12-6-5-9-17(24)13-22-19(26)10-11-21;/h2-4,7-8,14,17H,5-6,9-13,21H2,1H3,(H,22,26);1H
InChIKeyWGLBNJJFBMMGGO-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579938) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579938
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C20H27N5O2.ClH/c1-15-18(14-25(23-15)16-7-3-2-4-8-16)20(27)24-12-6-5-9-17(24)13-22-19(26)10-11-21;/h2-4,7-8,14,17H,5-6,9-13,21H2,1H3,(H,22,26);1H
InChIKeyWGLBNJJFBMMGGO-UHFFFAOYSA-N
XLogP2.06
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119650742
3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911236
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 99698360
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579736
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578476
3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578129
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910925
3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579938) is 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1nn(-c2ccccc2)cc1C(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is WGLBNJJFBMMGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.ClH/c1-15-18(14-25(23-15)16-7-3-2-4-8-16)20(27)24-12-6-5-9-17(24)13-22-19(26)10-11-21;/h2-4,7-8,14,17H,5-6,9-13,21H2,1H3,(H,22,26);1H.
What are the key properties of 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).