(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one

C17H22ClN5O — CID 154800137

IUPAC(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCC(N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccncc1Cl
InChIInChI=1S/C17H22ClN5O/c1-11(12-6-8-19-10-13(12)18)21-14-4-5-16(24)22(2)17(14)15-7-9-20-23(15)3/h6-11,14,17,21H,4-5H2,1-3H3/t11?,14-,17-/m1/s1
InChIKeyTWUUTEHATIZTQZ-GFADCJBXSA-N
MW347.85 g/mol
LogP2.48
Rot. Bonds4

About (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one

(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 154800137) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID154800137
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCC(N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccncc1Cl
InChIInChI=1S/C17H22ClN5O/c1-11(12-6-8-19-10-13(12)18)21-14-4-5-16(24)22(2)17(14)15-7-9-20-23(15)3/h6-11,14,17,21H,4-5H2,1-3H3/t11?,14-,17-/m1/s1
InChIKeyTWUUTEHATIZTQZ-GFADCJBXSA-N
XLogP2.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,6S)-5-[(4-chlorophenyl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 146133545
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643
1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
CID 126804581
2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
CID 128989265
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 128989245
(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980646
(5R,6R)-1-methyl-6-(2-methylpyrazol-3-yl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-2-one
CID 167804171
(4R,5R)-4-[1-(3-chlorophenyl)propan-2-ylamino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128976953
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]cyclopropanesulfonamide
CID 128977876
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795
(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129484302

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one (CID 154800137) is (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one is CC(N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccncc1Cl.
What is the InChIKey of (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is TWUUTEHATIZTQZ-GFADCJBXSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-11(12-6-8-19-10-13(12)18)21-14-4-5-16(24)22(2)17(14)15-7-9-20-23(15)3/h6-11,14,17,21H,4-5H2,1-3H3/t11?,14-,17-/m1/s1.
What are the key properties of (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 347.85 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 154800137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).