benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate

C23H25N3O3 — CID 71628871

IUPACbenzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(=O)c1nc2ccccc2n1CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(27)22-24-20-9-5-6-10-21(20)26(22)15-18-11-13-25(14-12-18)23(28)29-16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3
InChIKeyORBZLFXZQVLJNP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.29
Rot. Bonds5

About benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate

benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 71628871) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate
PubChem CID71628871
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namebenzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(=O)c1nc2ccccc2n1CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O3/c1-17(27)22-24-20-9-5-6-10-21(20)26(22)15-18-11-13-25(14-12-18)23(28)29-16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3
InChIKeyORBZLFXZQVLJNP-UHFFFAOYSA-N
XLogP4.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 71648730
benzyl (3S)-3-(2-acetylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 97170796
benzyl 4-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 71628881
benzyl 3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 71649890
benzyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97169469
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
1-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]azetidine-3-carboxylic acid
CID 167720546
(3S,5S)-3,5-dimethyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylic acid
CID 170434369
benzyl 4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxylate
CID 75481460
benzyl (2S)-2-[(2-acetylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 97170831
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate (CID 71628871) is benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate is CC(=O)c1nc2ccccc2n1CC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is ORBZLFXZQVLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(27)22-24-20-9-5-6-10-21(20)26(22)15-18-11-13-25(14-12-18)23(28)29-16-19-7-3-2-4-8-19/h2-10,18H,11-16H2,1H3.
What are the key properties of benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate?
benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-acetylbenzimidazol-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71628871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).