N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide

C17H26N4O5 — CID 155499092

IUPACN-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide
SMILESCOc1cc(N2CC[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)nc(OC)n1
InChIInChI=1S/C17H26N4O5/c1-24-15-9-14(19-17(20-15)25-2)21-6-3-13(22)12(10-21)18-16(23)11-4-7-26-8-5-11/h9,11-13,22H,3-8,10H2,1-2H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyGUAPYBLJJVHAFN-OLZOCXBDSA-N
MW366.42 g/mol
LogP-0.02
Rot. Bonds5

About N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide (PubChem CID 155499092) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide
PubChem CID155499092
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC NameN-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide
SMILESCOc1cc(N2CC[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)nc(OC)n1
InChIInChI=1S/C17H26N4O5/c1-24-15-9-14(19-17(20-15)25-2)21-6-3-13(22)12(10-21)18-16(23)11-4-7-26-8-5-11/h9,11-13,22H,3-8,10H2,1-2H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyGUAPYBLJJVHAFN-OLZOCXBDSA-N
XLogP-0.02
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide (CID 155499092) is N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide is COc1cc(N2CC[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)nc(OC)n1.
What is the InChIKey of N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide?
The InChIKey is GUAPYBLJJVHAFN-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-24-15-9-14(19-17(20-15)25-2)21-6-3-13(22)12(10-21)18-16(23)11-4-7-26-8-5-11/h9,11-13,22H,3-8,10H2,1-2H3,(H,18,23)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2,6-dimethoxypyrimidin-4-yl)-4-hydroxypiperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 155499092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).