3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C18H32ClN5O2 — CID 120580258

IUPAC3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1c(C(=O)N2CCCCC2CNC(=O)CCN)cnn1C(C)(C)C.Cl
InChIInChI=1S/C18H31N5O2.ClH/c1-13-15(12-21-23(13)18(2,3)4)17(25)22-10-6-5-7-14(22)11-20-16(24)8-9-19;/h12,14H,5-11,19H2,1-4H3,(H,20,24);1H
InChIKeySPCMKRNAEPWJOJ-UHFFFAOYSA-N
MW385.94 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120580258) has the molecular formula C18H32ClN5O2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120580258
Molecular FormulaC18H32ClN5O2
Molecular Weight385.94 g/mol
Exact Mass385.22
IUPAC Name3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1c(C(=O)N2CCCCC2CNC(=O)CCN)cnn1C(C)(C)C.Cl
InChIInChI=1S/C18H31N5O2.ClH/c1-13-15(12-21-23(13)18(2,3)4)17(25)22-10-6-5-7-14(22)11-20-16(24)8-9-19;/h12,14H,5-11,19H2,1-4H3,(H,20,24);1H
InChIKeySPCMKRNAEPWJOJ-UHFFFAOYSA-N
XLogP1.83
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578476
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578660
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120580258) is 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1c(C(=O)N2CCCCC2CNC(=O)CCN)cnn1C(C)(C)C.Cl.
What is the InChIKey of 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is SPCMKRNAEPWJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2.ClH/c1-13-15(12-21-23(13)18(2,3)4)17(25)22-10-6-5-7-14(22)11-20-16(24)8-9-19;/h12,14H,5-11,19H2,1-4H3,(H,20,24);1H.
What are the key properties of 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120580258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).