ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate

C25H27N3O3 — CID 11304622

IUPACethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2nccn2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27N3O3/c1-2-31-25(30)27-16-13-21(14-17-27)23(29)24-26-15-18-28(24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,18,21-22H,2,13-14,16-17H2,1H3
InChIKeyHTRWASOYCOUDDY-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.57
Rot. Bonds6

About ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate

ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate (PubChem CID 11304622) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate
PubChem CID11304622
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Nameethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2nccn2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27N3O3/c1-2-31-25(30)27-16-13-21(14-17-27)23(29)24-26-15-18-28(24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,18,21-22H,2,13-14,16-17H2,1H3
InChIKeyHTRWASOYCOUDDY-UHFFFAOYSA-N
XLogP4.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate
CID 53426451
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 110413335
ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 129362508
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
CID 110394203
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate (CID 11304622) is ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)c2nccn2C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate?
The InChIKey is HTRWASOYCOUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-31-25(30)27-16-13-21(14-17-27)23(29)24-26-15-18-28(24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,18,21-22H,2,13-14,16-17H2,1H3.
What are the key properties of ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate?
ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 11304622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).