3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide

C15H25N5O2 — CID 120580035

IUPAC3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESCc1c(C(=O)N2CCCCC2CNC(=O)CCN)cnn1C
InChIInChI=1S/C15H25N5O2/c1-11-13(10-18-19(11)2)15(22)20-8-4-3-5-12(20)9-17-14(21)6-7-16/h10,12H,3-9,16H2,1-2H3,(H,17,21)
InChIKeyUESITGQVRGUNPD-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.19
Rot. Bonds5

About 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120580035) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120580035
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESCc1c(C(=O)N2CCCCC2CNC(=O)CCN)cnn1C
InChIInChI=1S/C15H25N5O2/c1-11-13(10-18-19(11)2)15(22)20-8-4-3-5-12(20)9-17-14(21)6-7-16/h10,12H,3-9,16H2,1-2H3,(H,17,21)
InChIKeyUESITGQVRGUNPD-UHFFFAOYSA-N
XLogP0.19
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580258
[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
1-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553133
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578476
3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578685
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide (CID 120580035) is 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide is Cc1c(C(=O)N2CCCCC2CNC(=O)CCN)cnn1C.
What is the InChIKey of 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is UESITGQVRGUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-13(10-18-19(11)2)15(22)20-8-4-3-5-12(20)9-17-14(21)6-7-16/h10,12H,3-9,16H2,1-2H3,(H,17,21).
What are the key properties of 3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.19, 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-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).