N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide

C15H18N4O2 — CID 126834193

IUPACN-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc2ccccc2nn1)N1CCC(CO)CC1
InChIInChI=1S/C15H18N4O2/c20-10-11-5-7-19(8-6-11)15(21)16-14-9-12-3-1-2-4-13(12)17-18-14/h1-4,9,11,20H,5-8,10H2,(H,16,18,21)
InChIKeyGJDPBKRHXMMPAR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.87
Rot. Bonds2

About N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide

N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 126834193) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID126834193
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc2ccccc2nn1)N1CCC(CO)CC1
InChIInChI=1S/C15H18N4O2/c20-10-11-5-7-19(8-6-11)15(21)16-14-9-12-3-1-2-4-13(12)17-18-14/h1-4,9,11,20H,5-8,10H2,(H,16,18,21)
InChIKeyGJDPBKRHXMMPAR-UHFFFAOYSA-N
XLogP1.87
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide
CID 154781982
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
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N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide
CID 25132060
4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47215175
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
4-(hydroxymethyl)-N-[2-(2-phenylethynyl)phenyl]piperidine-1-carboxamide
CID 111566379
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 164635885
4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 56782671
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110929978

Frequently Asked Questions

What is the IUPAC name of N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide (CID 126834193) is N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1cc2ccccc2nn1)N1CCC(CO)CC1.
What is the InChIKey of N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is GJDPBKRHXMMPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-10-11-5-7-19(8-6-11)15(21)16-14-9-12-3-1-2-4-13(12)17-18-14/h1-4,9,11,20H,5-8,10H2,(H,16,18,21).
What are the key properties of N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide?
N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126834193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).