3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride

C15H20ClN3O4 — CID 87474648

IUPAC3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride
SMILESO=C(NOCC(O)CN1CCCCC1)c1cccnc1C(=O)Cl
InChIInChI=1S/C15H20ClN3O4/c16-14(21)13-12(5-4-6-17-13)15(22)18-23-10-11(20)9-19-7-2-1-3-8-19/h4-6,11,20H,1-3,7-10H2,(H,18,22)
InChIKeyWIUADEPTKLBGJD-UHFFFAOYSA-N
MW341.80 g/mol
LogP0.97
Rot. Bonds7

About 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride

3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride (PubChem CID 87474648) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride
PubChem CID87474648
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride
SMILESO=C(NOCC(O)CN1CCCCC1)c1cccnc1C(=O)Cl
InChIInChI=1S/C15H20ClN3O4/c16-14(21)13-12(5-4-6-17-13)15(22)18-23-10-11(20)9-19-7-2-1-3-8-19/h4-6,11,20H,1-3,7-10H2,(H,18,22)
InChIKeyWIUADEPTKLBGJD-UHFFFAOYSA-N
XLogP0.97
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride
CID 18766215
1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 175939831
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
2-chloro-N-[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 87620615
3-(2-hydroxy-3-piperidin-1-ylpropoxy)-1,1-dimethyl-2-phenylguanidine
CID 18766181
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride?
The IUPAC name of 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride (CID 87474648) is 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride?
The canonical SMILES for 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride is O=C(NOCC(O)CN1CCCCC1)c1cccnc1C(=O)Cl.
What is the InChIKey of 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride?
The InChIKey is WIUADEPTKLBGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c16-14(21)13-12(5-4-6-17-13)15(22)18-23-10-11(20)9-19-7-2-1-3-8-19/h4-6,11,20H,1-3,7-10H2,(H,18,22).
What are the key properties of 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride?
3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride has a molecular weight of 341.80 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride is sourced from PubChem (CID 87474648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).