3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C22H32ClN5O2 — CID 120579736

IUPAC3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-16-20(17(2)27(25-16)18-8-4-3-5-9-18)14-22(29)26-13-7-6-10-19(26)15-24-21(28)11-12-23;/h3-5,8-9,19H,6-7,10-15,23H2,1-2H3,(H,24,28);1H
InChIKeyPJNUVGJQSDGLKO-UHFFFAOYSA-N
MW433.98 g/mol
LogP2.30
Rot. Bonds7

About 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579736) has the molecular formula C22H32ClN5O2 and a molecular weight of 433.98 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579736
Molecular FormulaC22H32ClN5O2
Molecular Weight433.98 g/mol
Exact Mass433.22
IUPAC Name3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-16-20(17(2)27(25-16)18-8-4-3-5-9-18)14-22(29)26-13-7-6-10-19(26)15-24-21(28)11-12-23;/h3-5,8-9,19H,6-7,10-15,23H2,1-2H3,(H,24,28);1H
InChIKeyPJNUVGJQSDGLKO-UHFFFAOYSA-N
XLogP2.30
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119437515
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
(2R)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119370730
3-amino-N-[[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579911
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119650670
3-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120580063
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579736) is 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is PJNUVGJQSDGLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.ClH/c1-16-20(17(2)27(25-16)18-8-4-3-5-9-18)14-22(29)26-13-7-6-10-19(26)15-24-21(28)11-12-23;/h3-5,8-9,19H,6-7,10-15,23H2,1-2H3,(H,24,28);1H.
What are the key properties of 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).