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

C23H29N5O3 — CID 124960963

IUPAC2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4cc(C)on4)C3)ccc21
InChIInChI=1S/C23H29N5O3/c1-4-27-15-24-20-12-18(7-8-21(20)27)23(30)28-9-5-6-17(13-28)11-22(29)26(3)14-19-10-16(2)31-25-19/h7-8,10,12,15,17H,4-6,9,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyGYDUADGINWWPCJ-QGZVFWFLSA-N
MW423.52 g/mol
LogP3.25
Rot. Bonds6

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

2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 124960963) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID124960963
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4cc(C)on4)C3)ccc21
InChIInChI=1S/C23H29N5O3/c1-4-27-15-24-20-12-18(7-8-21(20)27)23(30)28-9-5-6-17(13-28)11-22(29)26(3)14-19-10-16(2)31-25-19/h7-8,10,12,15,17H,4-6,9,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyGYDUADGINWWPCJ-QGZVFWFLSA-N
XLogP3.25
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(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
(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
CID 124970421
[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 16740896

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (CID 124960963) is 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is CCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4cc(C)on4)C3)ccc21.
What is the InChIKey of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is GYDUADGINWWPCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-27-15-24-20-12-18(7-8-21(20)27)23(30)28-9-5-6-17(13-28)11-22(29)26(3)14-19-10-16(2)31-25-19/h7-8,10,12,15,17H,4-6,9,11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 124960963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).