N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H24N4O — CID 46981625

IUPACN-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H24N4O/c1-18(10-11-19-8-3-2-4-9-19)15(20)14-12-6-5-7-13(12)16-17-14/h2-11H2,1H3,(H,16,17)
InChIKeyJTBFTHOZPWONQD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.46
Rot. Bonds4

About N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 46981625) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID46981625
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H24N4O/c1-18(10-11-19-8-3-2-4-9-19)15(20)14-12-6-5-7-13(12)16-17-14/h2-11H2,1H3,(H,16,17)
InChIKeyJTBFTHOZPWONQD-UHFFFAOYSA-N
XLogP1.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 46981625) is N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(CCN1CCCCC1)C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is JTBFTHOZPWONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(10-11-19-8-3-2-4-9-19)15(20)14-12-6-5-7-13(12)16-17-14/h2-11H2,1H3,(H,16,17).
What are the key properties of N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46981625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).