1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide

C24H36N4O2 — CID 23441255

IUPAC1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
SMILESCc1cc2nc(N3CCCCC3C(=O)NCCN3C(C)CCCC3C)oc2cc1C
InChIInChI=1S/C24H36N4O2/c1-16-14-20-22(15-17(16)2)30-24(26-20)28-12-6-5-10-21(28)23(29)25-11-13-27-18(3)8-7-9-19(27)4/h14-15,18-19,21H,5-13H2,1-4H3,(H,25,29)
InChIKeyRTLAQPSWQMCPPO-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.18
Rot. Bonds5

About 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide

1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide (PubChem CID 23441255) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
PubChem CID23441255
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
SMILESCc1cc2nc(N3CCCCC3C(=O)NCCN3C(C)CCCC3C)oc2cc1C
InChIInChI=1S/C24H36N4O2/c1-16-14-20-22(15-17(16)2)30-24(26-20)28-12-6-5-10-21(28)23(29)25-11-13-27-18(3)8-7-9-19(27)4/h14-15,18-19,21H,5-13H2,1-4H3,(H,25,29)
InChIKeyRTLAQPSWQMCPPO-UHFFFAOYSA-N
XLogP4.18
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl]piperidine-2-carboxamide;(2S)-1-(5,6-dimethyl-1,3-benzoxazol-2-yl)piperidine-2-carboxylic acid
CID 160680563
1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
CID 18340171
(2S)-1-(6-hydroxy-1,3-benzoxazol-2-yl)-N-[2-[(2R,6R)-2-(iodomethyl)-6-methylpiperidin-1-yl]ethyl]piperidine-2-carboxamide
CID 163909865
(2S)-N-[2-[(2S,6R)-2,6-dimethylcyclohexyl]ethyl]-1-(5-methoxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide
CID 57224706
tert-butyl N-[3-[[1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propyl]carbamate
CID 126850572
7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869945
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3242067

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide (CID 23441255) is 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide is Cc1cc2nc(N3CCCCC3C(=O)NCCN3C(C)CCCC3C)oc2cc1C.
What is the InChIKey of 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is RTLAQPSWQMCPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-16-14-20-22(15-17(16)2)30-24(26-20)28-12-6-5-10-21(28)23(29)25-11-13-27-18(3)8-7-9-19(27)4/h14-15,18-19,21H,5-13H2,1-4H3,(H,25,29).
What are the key properties of 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide?
1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 23441255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).