(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C16H28N4O2 — CID 124615298

IUPAC(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)C(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)14(22-4)10-17-15(21)20-9-5-6-12(11-20)13-7-8-18-19-13/h7-8,12,14H,5-6,9-11H2,1-4H3,(H,17,21)(H,18,19)/t12-,14-/m1/s1
InChIKeyYBMOUFAUCUFOLU-TZMCWYRMSA-N
MW308.43 g/mol
LogP2.36
Rot. Bonds4

About (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 124615298) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID124615298
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)C(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)14(22-4)10-17-15(21)20-9-5-6-12(11-20)13-7-8-18-19-13/h7-8,12,14H,5-6,9-11H2,1-4H3,(H,17,21)(H,18,19)/t12-,14-/m1/s1
InChIKeyYBMOUFAUCUFOLU-TZMCWYRMSA-N
XLogP2.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607681
(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607594
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 124615298) is (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)C(C)(C)C.
What is the InChIKey of (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is YBMOUFAUCUFOLU-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)14(22-4)10-17-15(21)20-9-5-6-12(11-20)13-7-8-18-19-13/h7-8,12,14H,5-6,9-11H2,1-4H3,(H,17,21)(H,18,19)/t12-,14-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124615298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).