3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide

C16H26N4O2 — CID 136582905

IUPAC3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)C2NCCCC2(C)C)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2)6-4-7-17-14(16)15(21)19-12-5-8-22-13(12)11-9-18-20(3)10-11/h9-10,12-14,17H,4-8H2,1-3H3,(H,19,21)/t12-,13+,14?/m1/s1
InChIKeyOQDAGFRMQMCCGC-AMIUJLCOSA-N
MW306.41 g/mol
LogP1.14
Rot. Bonds3

About 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide

3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide (PubChem CID 136582905) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide
PubChem CID136582905
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)C2NCCCC2(C)C)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2)6-4-7-17-14(16)15(21)19-12-5-8-22-13(12)11-9-18-20(3)10-11/h9-10,12-14,17H,4-8H2,1-3H3,(H,19,21)/t12-,13+,14?/m1/s1
InChIKeyOQDAGFRMQMCCGC-AMIUJLCOSA-N
XLogP1.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 129336877
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
CID 136586548
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 128887292

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide (CID 136582905) is 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide is Cn1cc([C@@H]2OCC[C@H]2NC(=O)C2NCCCC2(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide?
The InChIKey is OQDAGFRMQMCCGC-AMIUJLCOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2)6-4-7-17-14(16)15(21)19-12-5-8-22-13(12)11-9-18-20(3)10-11/h9-10,12-14,17H,4-8H2,1-3H3,(H,19,21)/t12-,13+,14?/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide?
3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]piperidine-2-carboxamide is sourced from PubChem (CID 136582905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).