methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate

C22H26N2O3 — CID 60595175

IUPACmethyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NCC2CCCCN2Cc2ccccc2)c1
InChIInChI=1S/C22H26N2O3/c1-27-22(26)19-11-7-10-18(14-19)21(25)23-15-20-12-5-6-13-24(20)16-17-8-3-2-4-9-17/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3,(H,23,25)
InChIKeyVMFFWWSGJVDIHO-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.26
Rot. Bonds6

About methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate

methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate (PubChem CID 60595175) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
PubChem CID60595175
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namemethyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NCC2CCCCN2Cc2ccccc2)c1
InChIInChI=1S/C22H26N2O3/c1-27-22(26)19-11-7-10-18(14-19)21(25)23-15-20-12-5-6-13-24(20)16-17-8-3-2-4-9-17/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3,(H,23,25)
InChIKeyVMFFWWSGJVDIHO-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-4-chloro-3-(methanesulfonamido)benzamide
CID 52798238
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119861772
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
methyl 3-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111333469

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate (CID 60595175) is methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate is COC(=O)c1cccc(C(=O)NCC2CCCCN2Cc2ccccc2)c1.
What is the InChIKey of methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate?
The InChIKey is VMFFWWSGJVDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-22(26)19-11-7-10-18(14-19)21(25)23-15-20-12-5-6-13-24(20)16-17-8-3-2-4-9-17/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3,(H,23,25).
What are the key properties of methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate?
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate has a molecular weight of 366.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate is sourced from PubChem (CID 60595175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).