(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one

C15H26N4O2 — CID 128983643

IUPAC(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCCC(COC)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C15H26N4O2/c1-5-11(10-21-4)17-12-6-7-14(20)18(2)15(12)13-8-9-16-19(13)3/h8-9,11-12,15,17H,5-7,10H2,1-4H3/t11?,12-,15-/m1/s1
InChIKeyPJRZWIGEWRBZKD-AADWAWOOSA-N
MW294.40 g/mol
LogP1.10
Rot. Bonds6

About (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one

(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 128983643) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID128983643
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCCC(COC)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C15H26N4O2/c1-5-11(10-21-4)17-12-6-7-14(20)18(2)15(12)13-8-9-16-19(13)3/h8-9,11-12,15,17H,5-7,10H2,1-4H3/t11?,12-,15-/m1/s1
InChIKeyPJRZWIGEWRBZKD-AADWAWOOSA-N
XLogP1.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one with MolForge

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Related Compounds

(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129483915
(5S,6S)-5-[(4-chlorophenyl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 146133545
5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 114554528
(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 154800137
2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
CID 128989265
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
CID 126804581
(5R,6R)-1-methyl-6-(2-methylpyrazol-3-yl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-2-one
CID 167804171
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]cyclopropanesulfonamide
CID 128977876
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 128989245
methyl (2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylate
CID 124709192
(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976738

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one (CID 128983643) is (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one is CCC(COC)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C.
What is the InChIKey of (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is PJRZWIGEWRBZKD-AADWAWOOSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-11(10-21-4)17-12-6-7-14(20)18(2)15(12)13-8-9-16-19(13)3/h8-9,11-12,15,17H,5-7,10H2,1-4H3/t11?,12-,15-/m1/s1.
What are the key properties of (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one?
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 128983643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).