methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate

C18H22N2O4 — CID 51153861

IUPACmethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C18H22N2O4/c1-24-18(23)13-7-9-20(10-8-13)17(22)14-3-2-4-15(11-14)19-16(21)12-5-6-12/h2-4,11-13H,5-10H2,1H3,(H,19,21)
InChIKeyQSJPKFGYRMIFAQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.06
Rot. Bonds4

About methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate

methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate (PubChem CID 51153861) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
PubChem CID51153861
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C18H22N2O4/c1-24-18(23)13-7-9-20(10-8-13)17(22)14-3-2-4-15(11-14)19-16(21)12-5-6-12/h2-4,11-13H,5-10H2,1H3,(H,19,21)
InChIKeyQSJPKFGYRMIFAQ-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate (CID 51153861) is methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1.
What is the InChIKey of methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate?
The InChIKey is QSJPKFGYRMIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-18(23)13-7-9-20(10-8-13)17(22)14-3-2-4-15(11-14)19-16(21)12-5-6-12/h2-4,11-13H,5-10H2,1H3,(H,19,21).
What are the key properties of methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate?
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 51153861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).