(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide

C15H19N5O2 — CID 129484490

IUPAC(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@]1(O)CCCN(Cc2ccc(-n3ccnc3)nc2)C1
InChIInChI=1S/C15H19N5O2/c16-14(21)15(22)4-1-6-19(10-15)9-12-2-3-13(18-8-12)20-7-5-17-11-20/h2-3,5,7-8,11,22H,1,4,6,9-10H2,(H2,16,21)/t15-/m1/s1
InChIKeyQSUPTZKEPQIVPQ-OAHLLOKOSA-N
MW301.35 g/mol
LogP0.08
Rot. Bonds4

About (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide

(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 129484490) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID129484490
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@]1(O)CCCN(Cc2ccc(-n3ccnc3)nc2)C1
InChIInChI=1S/C15H19N5O2/c16-14(21)15(22)4-1-6-19(10-15)9-12-2-3-13(18-8-12)20-7-5-17-11-20/h2-3,5,7-8,11,22H,1,4,6,9-10H2,(H2,16,21)/t15-/m1/s1
InChIKeyQSUPTZKEPQIVPQ-OAHLLOKOSA-N
XLogP0.08
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 129484490) is (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide is NC(=O)[C@@]1(O)CCCN(Cc2ccc(-n3ccnc3)nc2)C1.
What is the InChIKey of (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is QSUPTZKEPQIVPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-14(21)15(22)4-1-6-19(10-15)9-12-2-3-13(18-8-12)20-7-5-17-11-20/h2-3,5,7-8,11,22H,1,4,6,9-10H2,(H2,16,21)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?
(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 129484490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).