(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone

C20H28N4O2 — CID 125169053

IUPAC(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
SMILESC[C@@H](C1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1)N1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-15(23-9-11-26-12-10-23)16-5-7-24(8-6-16)20(25)17-3-4-19-18(13-17)21-14-22(19)2/h3-4,13-16H,5-12H2,1-2H3/t15-/m0/s1
InChIKeyDBYNVTHLLYVGNH-HNNXBMFYSA-N
MW356.47 g/mol
LogP2.15
Rot. Bonds3

About (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone

(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone (PubChem CID 125169053) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
PubChem CID125169053
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
SMILESC[C@@H](C1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1)N1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-15(23-9-11-26-12-10-23)16-5-7-24(8-6-16)20(25)17-3-4-19-18(13-17)21-14-22(19)2/h3-4,13-16H,5-12H2,1-2H3/t15-/m0/s1
InChIKeyDBYNVTHLLYVGNH-HNNXBMFYSA-N
XLogP2.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 136519385
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone (CID 125169053) is (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone is C[C@@H](C1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1)N1CCOCC1.
What is the InChIKey of (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
The InChIKey is DBYNVTHLLYVGNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(23-9-11-26-12-10-23)16-5-7-24(8-6-16)20(25)17-3-4-19-18(13-17)21-14-22(19)2/h3-4,13-16H,5-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125169053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).