methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate

C21H22N2O4 — CID 3585170

IUPACmethyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C21H22N2O4/c1-27-21(26)16-10-12-23(13-11-16)20(25)17-8-5-9-18(14-17)22-19(24)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,22,24)
InChIKeyXNUQLIHZYZRAAP-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.96
Rot. Bonds4

About methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate

methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate (PubChem CID 3585170) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
PubChem CID3585170
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C21H22N2O4/c1-27-21(26)16-10-12-23(13-11-16)20(25)17-8-5-9-18(14-17)22-19(24)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,22,24)
InChIKeyXNUQLIHZYZRAAP-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
methyl 1-(3-phenacylsulfanylbenzoyl)piperidine-4-carboxylate
CID 84558230
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46387263
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate (CID 3585170) is methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1.
What is the InChIKey of methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate?
The InChIKey is XNUQLIHZYZRAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-27-21(26)16-10-12-23(13-11-16)20(25)17-8-5-9-18(14-17)22-19(24)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,22,24).
What are the key properties of methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate?
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 3585170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).