(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide

C16H26N4O2 — CID 95139369

IUPAC(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)nn1C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-10-6-7-12(14(17)21)9-19(10)15(22)13-8-11(2)20(18-13)16(3,4)5/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)/t10-,12-/m1/s1
InChIKeyUPDASQAHINREOB-ZYHUDNBSSA-N
MW306.41 g/mol
LogP1.67
Rot. Bonds2

About (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide

(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95139369) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95139369
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)nn1C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-10-6-7-12(14(17)21)9-19(10)15(22)13-8-11(2)20(18-13)16(3,4)5/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)/t10-,12-/m1/s1
InChIKeyUPDASQAHINREOB-ZYHUDNBSSA-N
XLogP1.67
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95139369) is (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide is Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)nn1C(C)(C)C.
What is the InChIKey of (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is UPDASQAHINREOB-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-10-6-7-12(14(17)21)9-19(10)15(22)13-8-11(2)20(18-13)16(3,4)5/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)/t10-,12-/m1/s1.
What are the key properties of (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95139369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).