1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide

C16H26N4O2 — CID 53499150

IUPAC1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-11-10-13(18-20(11)16(2,3)4)15(22)19-8-6-12(7-9-19)14(21)17-5/h10,12H,6-9H2,1-5H3,(H,17,21)
InChIKeyJJCVLZFZCIANFK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.54
Rot. Bonds2

About 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide

1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 53499150) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID53499150
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-11-10-13(18-20(11)16(2,3)4)15(22)19-8-6-12(7-9-19)14(21)17-5/h10,12H,6-9H2,1-5H3,(H,17,21)
InChIKeyJJCVLZFZCIANFK-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56816616
[3-(azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509
(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124694981
1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 46490232
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 154768094
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 65355326
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 110681708
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876
(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95139369

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide (CID 53499150) is 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1.
What is the InChIKey of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is JJCVLZFZCIANFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-10-13(18-20(11)16(2,3)4)15(22)19-8-6-12(7-9-19)14(21)17-5/h10,12H,6-9H2,1-5H3,(H,17,21).
What are the key properties of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide?
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53499150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).