methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate

C23H26N2O2 — CID 167246634

IUPACmethyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccc(C3=CN(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C23H26N2O2/c1-27-23(26)20-11-13-24(14-12-20)15-18-7-9-19(10-8-18)21-16-25(17-21)22-5-3-2-4-6-22/h2-10,16,20H,11-15,17H2,1H3
InChIKeyUMOUTQHAPLXHPN-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.93
Rot. Bonds5

About methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate

methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate (PubChem CID 167246634) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate
PubChem CID167246634
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namemethyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccc(C3=CN(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C23H26N2O2/c1-27-23(26)20-11-13-24(14-12-20)15-18-7-9-19(10-8-18)21-16-25(17-21)22-5-3-2-4-6-22/h2-10,16,20H,11-15,17H2,1H3
InChIKeyUMOUTQHAPLXHPN-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
methyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-4-carboxylate
CID 122442954
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-benzylpiperidine-4-carbonyl chloride
CID 18919767

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate (CID 167246634) is methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2ccc(C3=CN(c4ccccc4)C3)cc2)CC1.
What is the InChIKey of methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate?
The InChIKey is UMOUTQHAPLXHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-27-23(26)20-11-13-24(14-12-20)15-18-7-9-19(10-8-18)21-16-25(17-21)22-5-3-2-4-6-22/h2-10,16,20H,11-15,17H2,1H3.
What are the key properties of methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate?
methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(1-phenyl-2H-azet-3-yl)phenyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 167246634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).