1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C21H28N4O2 — CID 97186933

IUPAC1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)C1
InChIInChI=1S/C21H28N4O2/c1-15(26)25-11-5-6-17(14-25)21(27)24-12-9-16(10-13-24)20-22-18-7-3-4-8-19(18)23(20)2/h3-4,7-8,16-17H,5-6,9-14H2,1-2H3/t17-/m1/s1
InChIKeyKJNVUCPFSKOMKD-QGZVFWFLSA-N
MW368.48 g/mol
LogP2.54
Rot. Bonds2

About 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 97186933) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID97186933
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)C1
InChIInChI=1S/C21H28N4O2/c1-15(26)25-11-5-6-17(14-25)21(27)24-12-9-16(10-13-24)20-22-18-7-3-4-8-19(18)23(20)2/h3-4,7-8,16-17H,5-6,9-14H2,1-2H3/t17-/m1/s1
InChIKeyKJNVUCPFSKOMKD-QGZVFWFLSA-N
XLogP2.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 97186933) is 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)C1.
What is the InChIKey of 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is KJNVUCPFSKOMKD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(26)25-11-5-6-17(14-25)21(27)24-12-9-16(10-13-24)20-22-18-7-3-4-8-19(18)23(20)2/h3-4,7-8,16-17H,5-6,9-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97186933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).