N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide

C23H26N4O4 — CID 125165468

IUPACN-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
SMILESCOc1ccccc1-c1nc2cc(C(=O)N3CCC[C@@H](O)C3)cc(NC(C)=O)c2n1C
InChIInChI=1S/C23H26N4O4/c1-14(28)24-18-11-15(23(30)27-10-6-7-16(29)13-27)12-19-21(18)26(2)22(25-19)17-8-4-5-9-20(17)31-3/h4-5,8-9,11-12,16,29H,6-7,10,13H2,1-3H3,(H,24,28)/t16-/m1/s1
InChIKeyGRTXSKLPJBCYJP-MRXNPFEDSA-N
MW422.49 g/mol
LogP2.80
Rot. Bonds4

About N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide

N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide (PubChem CID 125165468) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
PubChem CID125165468
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
SMILESCOc1ccccc1-c1nc2cc(C(=O)N3CCC[C@@H](O)C3)cc(NC(C)=O)c2n1C
InChIInChI=1S/C23H26N4O4/c1-14(28)24-18-11-15(23(30)27-10-6-7-16(29)13-27)12-19-21(18)26(2)22(25-19)17-8-4-5-9-20(17)31-3/h4-5,8-9,11-12,16,29H,6-7,10,13H2,1-3H3,(H,24,28)/t16-/m1/s1
InChIKeyGRTXSKLPJBCYJP-MRXNPFEDSA-N
XLogP2.80
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-2-phenylpropyl]benzimidazole-5-carboxamide
CID 42166404
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide
CID 42363754
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 175107450
[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703171
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51957235
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008
[(3R)-1-[2-(1-ethylpyrrolo[3,2-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433399
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(3-methoxypropyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122703123

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide?
The IUPAC name of N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide (CID 125165468) is N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide?
The canonical SMILES for N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide is COc1ccccc1-c1nc2cc(C(=O)N3CCC[C@@H](O)C3)cc(NC(C)=O)c2n1C.
What is the InChIKey of N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide?
The InChIKey is GRTXSKLPJBCYJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(28)24-18-11-15(23(30)27-10-6-7-16(29)13-27)12-19-21(18)26(2)22(25-19)17-8-4-5-9-20(17)31-3/h4-5,8-9,11-12,16,29H,6-7,10,13H2,1-3H3,(H,24,28)/t16-/m1/s1.
What are the key properties of N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide?
N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide is sourced from PubChem (CID 125165468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).