(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

C21H27N5O2 — CID 126438580

IUPAC(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCCc1cc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)on1
InChIInChI=1S/C21H27N5O2/c1-3-7-16-12-17(28-24-16)13-22-21(27)26-11-6-8-15(14-26)20-23-18-9-4-5-10-19(18)25(20)2/h4-5,9-10,12,15H,3,6-8,11,13-14H2,1-2H3,(H,22,27)/t15-/m1/s1
InChIKeyWTSQPJLJPORGDE-OAHLLOKOSA-N
MW381.48 g/mol
LogP3.60
Rot. Bonds5

About (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 126438580) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID126438580
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCCc1cc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)on1
InChIInChI=1S/C21H27N5O2/c1-3-7-16-12-17(28-24-16)13-22-21(27)26-11-6-8-15(14-26)20-23-18-9-4-5-10-19(18)25(20)2/h4-5,9-10,12,15H,3,6-8,11,13-14H2,1-2H3,(H,22,27)/t15-/m1/s1
InChIKeyWTSQPJLJPORGDE-OAHLLOKOSA-N
XLogP3.60
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 91947125
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (CID 126438580) is (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is CCCc1cc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)on1.
What is the InChIKey of (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is WTSQPJLJPORGDE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-7-16-12-17(28-24-16)13-22-21(27)26-11-6-8-15(14-26)20-23-18-9-4-5-10-19(18)25(20)2/h4-5,9-10,12,15H,3,6-8,11,13-14H2,1-2H3,(H,22,27)/t15-/m1/s1.
What are the key properties of (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126438580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).