3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide

C23H36N4O — CID 92637670

IUPAC3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCC2)c(CC2CCN(C[C@@H]3CC=CCC3)CC2)n1
InChIInChI=1S/C23H36N4O/c1-26-17-21(23(28)24-20-9-5-6-10-20)22(25-26)15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-3,17-20H,4-16H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyPAGWTVWURRNCTO-LJQANCHMSA-N
MW384.57 g/mol
LogP3.70
Rot. Bonds6

About 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide

3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide (PubChem CID 92637670) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide
PubChem CID92637670
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCC2)c(CC2CCN(C[C@@H]3CC=CCC3)CC2)n1
InChIInChI=1S/C23H36N4O/c1-26-17-21(23(28)24-20-9-5-6-10-20)22(25-26)15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-3,17-20H,4-16H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyPAGWTVWURRNCTO-LJQANCHMSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide (CID 92637670) is 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C[C@@H]3CC=CCC3)CC2)n1.
What is the InChIKey of 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide?
The InChIKey is PAGWTVWURRNCTO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H36N4O/c1-26-17-21(23(28)24-20-9-5-6-10-20)22(25-26)15-18-11-13-27(14-12-18)16-19-7-3-2-4-8-19/h2-3,17-20H,4-16H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide?
3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 92637670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).