1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C21H36N4O2 — CID 74238332

IUPAC1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)C1CCN(C2CCOCC2)CC1)C(C)C
InChIInChI=1S/C21H36N4O2/c1-15(2)25(14-20-16(3)22-23(5)17(20)4)21(26)18-6-10-24(11-7-18)19-8-12-27-13-9-19/h15,18-19H,6-14H2,1-5H3
InChIKeyOURXFCUIHHECBR-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.66
Rot. Bonds5

About 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 74238332) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID74238332
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)C1CCN(C2CCOCC2)CC1)C(C)C
InChIInChI=1S/C21H36N4O2/c1-15(2)25(14-20-16(3)22-23(5)17(20)4)21(26)18-6-10-24(11-7-18)19-8-12-27-13-9-19/h15,18-19H,6-14H2,1-5H3
InChIKeyOURXFCUIHHECBR-UHFFFAOYSA-N
XLogP2.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 74238332) is 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)C1CCN(C2CCOCC2)CC1)C(C)C.
What is the InChIKey of 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OURXFCUIHHECBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-15(2)25(14-20-16(3)22-23(5)17(20)4)21(26)18-6-10-24(11-7-18)19-8-12-27-13-9-19/h15,18-19H,6-14H2,1-5H3.
What are the key properties of 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 74238332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).