2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

C22H28N6O3 — CID 125010912

IUPAC2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4nonc4C)C3)ccc21
InChIInChI=1S/C22H28N6O3/c1-4-27-14-23-18-11-17(7-8-20(18)27)22(30)28-9-5-6-16(12-28)10-21(29)26(3)13-19-15(2)24-31-25-19/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyVMNCGONIYCQHIH-MRXNPFEDSA-N
MW424.51 g/mol
LogP2.65
Rot. Bonds6

About 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (PubChem CID 125010912) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
PubChem CID125010912
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4nonc4C)C3)ccc21
InChIInChI=1S/C22H28N6O3/c1-4-27-14-23-18-11-17(7-8-20(18)27)22(30)28-9-5-6-16(12-28)10-21(29)26(3)13-19-15(2)24-31-25-19/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyVMNCGONIYCQHIH-MRXNPFEDSA-N
XLogP2.65
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 124960963
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
[3-(aminomethyl)piperidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75469363
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide
CID 110085692
N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 124979019
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]methanone
CID 25031794
N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
CID 125013984
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465272

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (CID 125010912) is 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is CCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4nonc4C)C3)ccc21.
What is the InChIKey of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is VMNCGONIYCQHIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-4-27-14-23-18-11-17(7-8-20(18)27)22(30)28-9-5-6-16(12-28)10-21(29)26(3)13-19-15(2)24-31-25-19/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 125010912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).