ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate

C15H21N3O3 — CID 43774396

IUPACethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(19)11-3-5-12(6-4-11)17-13-7-9-18(10-8-13)15(16)20/h3-6,13,17H,2,7-10H2,1H3,(H2,16,20)
InChIKeySJUQNNUUQQTTEV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.82
Rot. Bonds4

About ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate

ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate (PubChem CID 43774396) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
PubChem CID43774396
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(19)11-3-5-12(6-4-11)17-13-7-9-18(10-8-13)15(16)20/h3-6,13,17H,2,7-10H2,1H3,(H2,16,20)
InChIKeySJUQNNUUQQTTEV-UHFFFAOYSA-N
XLogP1.82
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[[1-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]piperidin-4-yl]amino]benzoate
CID 58118271
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
CID 119050059
ethyl 4-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzoate
CID 56654570
ethyl 4-[(3S)-3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27914302
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate (CID 43774396) is ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate is CCOC(=O)c1ccc(NC2CCN(C(N)=O)CC2)cc1.
What is the InChIKey of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate?
The InChIKey is SJUQNNUUQQTTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-14(19)11-3-5-12(6-4-11)17-13-7-9-18(10-8-13)15(16)20/h3-6,13,17H,2,7-10H2,1H3,(H2,16,20).
What are the key properties of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate?
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate has a molecular weight of 291.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate is sourced from PubChem (CID 43774396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).