(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one

C17H22N4O2 — CID 128976738

IUPAC(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1nccc1[C@H]1[C@H](NCc2ccco2)CCC(=O)N1C1CC1
InChIInChI=1S/C17H22N4O2/c1-20-15(8-9-19-20)17-14(18-11-13-3-2-10-23-13)6-7-16(22)21(17)12-4-5-12/h2-3,8-10,12,14,17-18H,4-7,11H2,1H3/t14-,17-/m1/s1
InChIKeyHTALAPAOGPOBQW-RHSMWYFYSA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds5

About (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one

(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 128976738) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID128976738
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1nccc1[C@H]1[C@H](NCc2ccco2)CCC(=O)N1C1CC1
InChIInChI=1S/C17H22N4O2/c1-20-15(8-9-19-20)17-14(18-11-13-3-2-10-23-13)6-7-16(22)21(17)12-4-5-12/h2-3,8-10,12,14,17-18H,4-7,11H2,1H3/t14-,17-/m1/s1
InChIKeyHTALAPAOGPOBQW-RHSMWYFYSA-N
XLogP2.00
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
CID 124709192
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605
(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987637
5-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 128981706
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980643
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939
3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636084
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013807
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one (CID 128976738) is (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one is Cn1nccc1[C@H]1[C@H](NCc2ccco2)CCC(=O)N1C1CC1.
What is the InChIKey of (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is HTALAPAOGPOBQW-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-15(8-9-19-20)17-14(18-11-13-3-2-10-23-13)6-7-16(22)21(17)12-4-5-12/h2-3,8-10,12,14,17-18H,4-7,11H2,1H3/t14-,17-/m1/s1.
What are the key properties of (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one?
(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 128976738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).