(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C16H22N4O2 — CID 126439146

IUPAC(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccoc1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C16H22N4O2/c21-16(17-12-14-6-11-22-13-14)20-9-2-1-4-15(20)5-10-19-8-3-7-18-19/h3,6-8,11,13,15H,1-2,4-5,9-10,12H2,(H,17,21)/t15-/m0/s1
InChIKeyHYPVLRWDAGFSNI-HNNXBMFYSA-N
MW302.38 g/mol
LogP2.63
Rot. Bonds5

About (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 126439146) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID126439146
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccoc1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C16H22N4O2/c21-16(17-12-14-6-11-22-13-14)20-9-2-1-4-15(20)5-10-19-8-3-7-18-19/h3,6-8,11,13,15H,1-2,4-5,9-10,12H2,(H,17,21)/t15-/m0/s1
InChIKeyHYPVLRWDAGFSNI-HNNXBMFYSA-N
XLogP2.63
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
(2R)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97281204
(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97453580
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
2-[1-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]amino]cyclohexyl]acetic acid
CID 126448398
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 126439146) is (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is O=C(NCc1ccoc1)N1CCCC[C@H]1CCn1cccn1.
What is the InChIKey of (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is HYPVLRWDAGFSNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(17-12-14-6-11-22-13-14)20-9-2-1-4-15(20)5-10-19-8-3-7-18-19/h3,6-8,11,13,15H,1-2,4-5,9-10,12H2,(H,17,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).