methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate

C20H28N2O3 — CID 110754151

IUPACmethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)22-13-9-18(10-14-22)19(23)21-11-7-17(8-12-21)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyBKSCCPYQCJSSSD-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.95
Rot. Bonds3

About methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate

methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 110754151) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID110754151
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namemethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)22-13-9-18(10-14-22)19(23)21-11-7-17(8-12-21)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyBKSCCPYQCJSSSD-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 42693679
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
CID 110855778
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
6-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 46381270
methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate
CID 154847756
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate (CID 110754151) is methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is BKSCCPYQCJSSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-20(24)22-13-9-18(10-14-22)19(23)21-11-7-17(8-12-21)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3.
What are the key properties of methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 110754151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).