1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide

C20H21ClN4O2 — CID 55958876

IUPAC1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
SMILESCCc1nc2cc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)ccc2o1
InChIInChI=1S/C20H21ClN4O2/c1-2-19-24-16-11-15(4-5-17(16)27-19)23-20(26)13-7-9-25(10-8-13)18-6-3-14(21)12-22-18/h3-6,11-13H,2,7-10H2,1H3,(H,23,26)
InChIKeyYYOPCOHUZUWRJZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.29
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide (PubChem CID 55958876) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
PubChem CID55958876
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
SMILESCCc1nc2cc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)ccc2o1
InChIInChI=1S/C20H21ClN4O2/c1-2-19-24-16-11-15(4-5-17(16)27-19)23-20(26)13-7-9-25(10-8-13)18-6-3-14(21)12-22-18/h3-6,11-13H,2,7-10H2,1H3,(H,23,26)
InChIKeyYYOPCOHUZUWRJZ-UHFFFAOYSA-N
XLogP4.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 55958868
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55783863
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
S-[4-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579710
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38969415
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide (CID 55958876) is 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide is CCc1nc2cc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)ccc2o1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
The InChIKey is YYOPCOHUZUWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-19-24-16-11-15(4-5-17(16)27-19)23-20(26)13-7-9-25(10-8-13)18-6-3-14(21)12-22-18/h3-6,11-13H,2,7-10H2,1H3,(H,23,26).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55958876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).