ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate

C16H22N2O3 — CID 119302054

IUPACethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)14-5-3-12(4-6-14)11-18-15(19)13-7-9-17-10-8-13/h3-6,13,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyRNZKEHKNIGHTMQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds5

About ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate

ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate (PubChem CID 119302054) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
PubChem CID119302054
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)14-5-3-12(4-6-14)11-18-15(19)13-7-9-17-10-8-13/h3-6,13,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyRNZKEHKNIGHTMQ-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-benzylpiperidine-4-carboxamide
CID 3868064
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
ethane;methyl 4-[[(4-aminocyclohexanecarbonyl)amino]methyl]benzoate
CID 145465923
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
CID 119302039
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 119289038

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate?
The IUPAC name of ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate (CID 119302054) is ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate?
The canonical SMILES for ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)C2CCNCC2)cc1.
What is the InChIKey of ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate?
The InChIKey is RNZKEHKNIGHTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)14-5-3-12(4-6-14)11-18-15(19)13-7-9-17-10-8-13/h3-6,13,17H,2,7-11H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate?
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate has a molecular weight of 290.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate is sourced from PubChem (CID 119302054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).