ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate

C15H27N3O3 — CID 60933460

IUPACethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-14(19)11-3-5-12(6-4-11)17-13-7-9-18(10-8-13)15(16)20/h11-13,17H,2-10H2,1H3,(H2,16,20)
InChIKeyAFLJUHBRPOSMIE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.24
Rot. Bonds4

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

ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate (PubChem CID 60933460) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
PubChem CID60933460
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCN(C(N)=O)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-14(19)11-3-5-12(6-4-11)17-13-7-9-18(10-8-13)15(16)20/h11-13,17H,2-10H2,1H3,(H2,16,20)
InChIKeyAFLJUHBRPOSMIE-UHFFFAOYSA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
CID 62981321
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
ethyl 4-(oxan-4-ylamino)cyclohexane-1-carboxylate
CID 54866933
4-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]piperidine-1-carboxamide
CID 43791478
4-[(3-methoxycyclopentyl)amino]piperidine-1-carboxamide
CID 103081793
ethyl 1-(cyclopropylcarbamothioyl)piperidine-4-carboxylate
CID 2033229
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate (CID 60933460) is ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC2CCN(C(N)=O)CC2)CC1.
What is the InChIKey of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is AFLJUHBRPOSMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-14(19)11-3-5-12(6-4-11)17-13-7-9-18(10-8-13)15(16)20/h11-13,17H,2-10H2,1H3,(H2,16,20).
What are the key properties of ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.24, 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]cyclohexane-1-carboxylate is sourced from PubChem (CID 60933460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).