2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide

C13H22N4O — CID 83031621

IUPAC2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
SMILESCn1cc(NC(=O)C(C)(C)C2CCCNC2)cn1
InChIInChI=1S/C13H22N4O/c1-13(2,10-5-4-6-14-7-10)12(18)16-11-8-15-17(3)9-11/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyVENYFVLMUIVKBX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.38
Rot. Bonds3

About 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide

2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide (PubChem CID 83031621) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
PubChem CID83031621
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
SMILESCn1cc(NC(=O)C(C)(C)C2CCCNC2)cn1
InChIInChI=1S/C13H22N4O/c1-13(2,10-5-4-6-14-7-10)12(18)16-11-8-15-17(3)9-11/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyVENYFVLMUIVKBX-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034554
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 103885084
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83032094
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83032301
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
2-methyl-N-(3-methyl-2-pyridinyl)-2-piperidin-3-ylpropanamide
CID 83199453
N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199187
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 107222031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide?
The IUPAC name of 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide (CID 83031621) is 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide is Cn1cc(NC(=O)C(C)(C)C2CCCNC2)cn1.
What is the InChIKey of 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide?
The InChIKey is VENYFVLMUIVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,10-5-4-6-14-7-10)12(18)16-11-8-15-17(3)9-11/h8-10,14H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide?
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83031621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).