N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide

C12H20N4O — CID 106995080

IUPACN-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide
SMILESCC1CC(NC(=O)CCn2cccn2)CCN1
InChIInChI=1S/C12H20N4O/c1-10-9-11(3-6-13-10)15-12(17)4-8-16-7-2-5-14-16/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,15,17)
InChIKeyRVVWCFSVNHYLNS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide

N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 106995080) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide
PubChem CID106995080
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide
SMILESCC1CC(NC(=O)CCn2cccn2)CCN1
InChIInChI=1S/C12H20N4O/c1-10-9-11(3-6-13-10)15-12(17)4-8-16-7-2-5-14-16/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,15,17)
InChIKeyRVVWCFSVNHYLNS-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide (CID 106995080) is N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide is CC1CC(NC(=O)CCn2cccn2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is RVVWCFSVNHYLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-9-11(3-6-13-10)15-12(17)4-8-16-7-2-5-14-16/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide?
N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 106995080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).