ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate

C15H27N3O3 — CID 43791646

IUPACethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)18-9-7-13(8-10-18)17-12-5-3-11(4-6-12)14(16)19/h11-13,17H,2-10H2,1H3,(H2,16,19)
InChIKeyKHJUDVYKTYAJMN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.24
Rot. Bonds4

About ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate (PubChem CID 43791646) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
PubChem CID43791646
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)18-9-7-13(8-10-18)17-12-5-3-11(4-6-12)14(16)19/h11-13,17H,2-10H2,1H3,(H2,16,19)
InChIKeyKHJUDVYKTYAJMN-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-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 60933460
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
CID 103926013
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate (CID 43791646) is ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate?
The InChIKey is KHJUDVYKTYAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-15(20)18-9-7-13(8-10-18)17-12-5-3-11(4-6-12)14(16)19/h11-13,17H,2-10H2,1H3,(H2,16,19).
What are the key properties of ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-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-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43791646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).