N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide

C15H26N4O — CID 97146849

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCc1cc(CNC(=O)CC[C@@H]2CCCN(C)C2)n(C)n1
InChIInChI=1S/C15H26N4O/c1-12-9-14(19(3)17-12)10-16-15(20)7-6-13-5-4-8-18(2)11-13/h9,13H,4-8,10-11H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeySDITWYPNWNRDDK-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.47
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide (PubChem CID 97146849) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
PubChem CID97146849
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCc1cc(CNC(=O)CC[C@@H]2CCCN(C)C2)n(C)n1
InChIInChI=1S/C15H26N4O/c1-12-9-14(19(3)17-12)10-16-15(20)7-6-13-5-4-8-18(2)11-13/h9,13H,4-8,10-11H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeySDITWYPNWNRDDK-ZDUSSCGKSA-N
XLogP1.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 72903478
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97198797
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97191905
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 19292814
3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 75512323
1-[(3-methylimidazol-4-yl)methyl]-3-[2-(1-methylpiperidin-3-yl)ethyl]urea
CID 139021653
3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 114136949
cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 74241443

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide (CID 97146849) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide is Cc1cc(CNC(=O)CC[C@@H]2CCCN(C)C2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is SDITWYPNWNRDDK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-9-14(19(3)17-12)10-16-15(20)7-6-13-5-4-8-18(2)11-13/h9,13H,4-8,10-11H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 97146849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).