N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide

C16H20N4O2S — CID 119069111

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(Oc3ccncc3)CC2)cs1
InChIInChI=1S/C16H20N4O2S/c1-12-19-13(11-23-12)10-18-16(21)20-8-4-15(5-9-20)22-14-2-6-17-7-3-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,18,21)
InChIKeyONUQRZBXLWGQSI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.60
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide (PubChem CID 119069111) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
PubChem CID119069111
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(Oc3ccncc3)CC2)cs1
InChIInChI=1S/C16H20N4O2S/c1-12-19-13(11-23-12)10-18-16(21)20-8-4-15(5-9-20)22-14-2-6-17-7-3-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,18,21)
InChIKeyONUQRZBXLWGQSI-UHFFFAOYSA-N
XLogP2.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 166104722
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97074016
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 139010910

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide (CID 119069111) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC(Oc3ccncc3)CC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
The InChIKey is ONUQRZBXLWGQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-19-13(11-23-12)10-18-16(21)20-8-4-15(5-9-20)22-14-2-6-17-7-3-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,18,21).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 119069111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).