N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide

C16H28N4O — CID 134505641

IUPACN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C16H28N4O/c1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4/h10-13H,6-9H2,1-5H3,(H,18,21)
InChIKeyLNTBVVKLJBTLOM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds4

About N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide

N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 134505641) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID134505641
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C16H28N4O/c1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4/h10-13H,6-9H2,1-5H3,(H,18,21)
InChIKeyLNTBVVKLJBTLOM-UHFFFAOYSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide (CID 134505641) is N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide is CC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1.
What is the InChIKey of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is LNTBVVKLJBTLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4/h10-13H,6-9H2,1-5H3,(H,18,21).
What are the key properties of N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide?
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 134505641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).