(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

C16H21N3O2S — CID 129490029

IUPAC(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN#Cc1ccc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)s1
InChIInChI=1S/C16H21N3O2S/c17-9-13-3-4-14(22-13)10-19-7-5-11(6-8-19)15(20)16(21)18-12-1-2-12/h3-4,11-12,15,20H,1-2,5-8,10H2,(H,18,21)/t15-/m0/s1
InChIKeyNARJBQYMFPWMMK-HNNXBMFYSA-N
MW319.43 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 129490029) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID129490029
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN#Cc1ccc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)s1
InChIInChI=1S/C16H21N3O2S/c17-9-13-3-4-14(22-13)10-19-7-5-11(6-8-19)15(20)16(21)18-12-1-2-12/h3-4,11-12,15,20H,1-2,5-8,10H2,(H,18,21)/t15-/m0/s1
InChIKeyNARJBQYMFPWMMK-HNNXBMFYSA-N
XLogP1.47
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129490200
5-[(7-methyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]thiophene-2-carbonitrile
CID 119049388
(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489237
2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 115675555
2-[1-[(2-chloro-1-benzofuran-3-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 126800691
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 129490205
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
N-cyclopropyl-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 154753718
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]acetamide
CID 129490207
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 129489862
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 129490029) is (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is N#Cc1ccc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)s1.
What is the InChIKey of (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is NARJBQYMFPWMMK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c17-9-13-3-4-14(22-13)10-19-7-5-11(6-8-19)15(20)16(21)18-12-1-2-12/h3-4,11-12,15,20H,1-2,5-8,10H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 319.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 129490029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).