(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

C16H20N4O2 — CID 129490147

IUPAC(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN#Cc1cccnc1N1CCC([C@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C16H20N4O2/c17-10-12-2-1-7-18-15(12)20-8-5-11(6-9-20)14(21)16(22)19-13-3-4-13/h1-2,7,11,13-14,21H,3-6,8-9H2,(H,19,22)/t14-/m0/s1
InChIKeySBEOUZGLIAAFST-AWEZNQCLSA-N
MW300.36 g/mol
LogP0.81
Rot. Bonds4

About (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 129490147) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID129490147
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN#Cc1cccnc1N1CCC([C@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C16H20N4O2/c17-10-12-2-1-7-18-15(12)20-8-5-11(6-9-20)14(21)16(22)19-13-3-4-13/h1-2,7,11,13-14,21H,3-6,8-9H2,(H,19,22)/t14-/m0/s1
InChIKeySBEOUZGLIAAFST-AWEZNQCLSA-N
XLogP0.81
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 125444340
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489772
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
3-chloro-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 131934591
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea
CID 118793902
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 129490147) is (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is N#Cc1cccnc1N1CCC([C@H](O)C(=O)NC2CC2)CC1.
What is the InChIKey of (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is SBEOUZGLIAAFST-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-10-12-2-1-7-18-15(12)20-8-5-11(6-9-20)14(21)16(22)19-13-3-4-13/h1-2,7,11,13-14,21H,3-6,8-9H2,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 129490147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).