(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide

C17H25N3O2S — CID 129490200

IUPAC(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(NC1CC1)[C@H](O)C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C17H25N3O2S/c21-15(16(22)18-13-3-4-13)11-5-7-20(8-6-11)9-14-10-23-17(19-14)12-1-2-12/h10-13,15,21H,1-9H2,(H,18,22)/t15-/m1/s1
InChIKeyVANMINPQGBWGOY-OAHLLOKOSA-N
MW335.47 g/mol
LogP1.87
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide

(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 129490200) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
PubChem CID129490200
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(NC1CC1)[C@H](O)C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C17H25N3O2S/c21-15(16(22)18-13-3-4-13)11-5-7-20(8-6-11)9-14-10-23-17(19-14)12-1-2-12/h10-13,15,21H,1-9H2,(H,18,22)/t15-/m1/s1
InChIKeyVANMINPQGBWGOY-OAHLLOKOSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide with MolForge

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Related Compounds

N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490029
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75431209
2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166278088
N-[(2S)-butan-2-yl]-2-[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 51946628
N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 134052875
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 126800691

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide (CID 129490200) is (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide is O=C(NC1CC1)[C@H](O)C1CCN(Cc2csc(C3CC3)n2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is VANMINPQGBWGOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-15(16(22)18-13-3-4-13)11-5-7-20(8-6-11)9-14-10-23-17(19-14)12-1-2-12/h10-13,15,21H,1-9H2,(H,18,22)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide?
(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 335.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 129490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).