1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea

C17H21N5O2 — CID 126804581

IUPAC1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
SMILESCN1C(=O)CC[C@@H](NC(=O)Nc2ccccc2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H21N5O2/c1-21-15(23)9-8-13(16(21)14-10-11-18-22(14)2)20-17(24)19-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H2,19,20,24)/t13-,16-/m1/s1
InChIKeyNYLBELOZJVPXNN-CZUORRHYSA-N
MW327.39 g/mol
LogP1.90
Rot. Bonds3

About 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea

1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea (PubChem CID 126804581) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
PubChem CID126804581
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
SMILESCN1C(=O)CC[C@@H](NC(=O)Nc2ccccc2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H21N5O2/c1-21-15(23)9-8-13(16(21)14-10-11-18-22(14)2)20-17(24)19-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H2,19,20,24)/t13-,16-/m1/s1
InChIKeyNYLBELOZJVPXNN-CZUORRHYSA-N
XLogP1.90
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(5S,6S)-5-[(4-chlorophenyl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 146133545
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643
(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 154800137
1-(1,3-benzothiazol-6-yl)-3-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]urea
CID 154756842
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
(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]-3-hydroxy-3-methylbutanamide
CID 128971174
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-5-methylfuran-3-carboxamide
CID 128971411
3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
CID 128989098

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea?
The IUPAC name of 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea (CID 126804581) is 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea is CN1C(=O)CC[C@@H](NC(=O)Nc2ccccc2)[C@@H]1c1ccnn1C.
What is the InChIKey of 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea?
The InChIKey is NYLBELOZJVPXNN-CZUORRHYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-15(23)9-8-13(16(21)14-10-11-18-22(14)2)20-17(24)19-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H2,19,20,24)/t13-,16-/m1/s1.
What are the key properties of 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea?
1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea has a molecular weight of 327.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea is sourced from PubChem (CID 126804581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).