N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide

C17H26N4O3 — CID 128971174

IUPACN-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
SMILESCn1nccc1[C@H]1[C@H](NC(=O)CC(C)(C)O)CCC(=O)N1C1CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,24)10-14(22)19-12-6-7-15(23)21(11-4-5-11)16(12)13-8-9-18-20(13)3/h8-9,11-12,16,24H,4-7,10H2,1-3H3,(H,19,22)/t12-,16-/m1/s1
InChIKeyQHVKBFDYFDIWRU-MLGOLLRUSA-N
MW334.42 g/mol
LogP0.89
Rot. Bonds5

About N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide

N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 128971174) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
PubChem CID128971174
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
SMILESCn1nccc1[C@H]1[C@H](NC(=O)CC(C)(C)O)CCC(=O)N1C1CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,24)10-14(22)19-12-6-7-15(23)21(11-4-5-11)16(12)13-8-9-18-20(13)3/h8-9,11-12,16,24H,4-7,10H2,1-3H3,(H,19,22)/t12-,16-/m1/s1
InChIKeyQHVKBFDYFDIWRU-MLGOLLRUSA-N
XLogP0.89
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide (CID 128971174) is N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide is Cn1nccc1[C@H]1[C@H](NC(=O)CC(C)(C)O)CCC(=O)N1C1CC1.
What is the InChIKey of N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is QHVKBFDYFDIWRU-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,24)10-14(22)19-12-6-7-15(23)21(11-4-5-11)16(12)13-8-9-18-20(13)3/h8-9,11-12,16,24H,4-7,10H2,1-3H3,(H,19,22)/t12-,16-/m1/s1.
What are the key properties of N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide?
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 334.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 128971174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).