2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide

C23H32N4O3 — CID 124943780

IUPAC2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)NCC4CCOCC4)C3)ccc21
InChIInChI=1S/C23H32N4O3/c1-2-26-16-25-20-13-19(5-6-21(20)26)23(29)27-9-3-4-18(15-27)12-22(28)24-14-17-7-10-30-11-8-17/h5-6,13,16-18H,2-4,7-12,14-15H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyBFAKFWUDQKUGEJ-GOSISDBHSA-N
MW412.53 g/mol
LogP2.84
Rot. Bonds6

About 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide

2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 124943780) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID124943780
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)NCC4CCOCC4)C3)ccc21
InChIInChI=1S/C23H32N4O3/c1-2-26-16-25-20-13-19(5-6-21(20)26)23(29)27-9-3-4-18(15-27)12-22(28)24-14-17-7-10-30-11-8-17/h5-6,13,16-18H,2-4,7-12,14-15H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyBFAKFWUDQKUGEJ-GOSISDBHSA-N
XLogP2.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 110085800
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
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-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 124960963
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 124979019
formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide
CID 171688205
N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
CID 166375521
(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
2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
CID 175657170

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide (CID 124943780) is 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide is CCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)NCC4CCOCC4)C3)ccc21.
What is the InChIKey of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is BFAKFWUDQKUGEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-2-26-16-25-20-13-19(5-6-21(20)26)23(29)27-9-3-4-18(15-27)12-22(28)24-14-17-7-10-30-11-8-17/h5-6,13,16-18H,2-4,7-12,14-15H2,1H3,(H,24,28)/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 124943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).