ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate

C19H34N4O3 — CID 113074692

IUPACethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-2-26-19(25)23-10-8-17(9-11-23)21-12-14-22(15-13-21)18(24)20-16-6-4-3-5-7-16/h16-17H,2-15H2,1H3,(H,20,24)
InChIKeyWZAHHYUXARIXIL-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.27
Rot. Bonds3

About ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate (PubChem CID 113074692) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
PubChem CID113074692
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Nameethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-2-26-19(25)23-10-8-17(9-11-23)21-12-14-22(15-13-21)18(24)20-16-6-4-3-5-7-16/h16-17H,2-15H2,1H3,(H,20,24)
InChIKeyWZAHHYUXARIXIL-UHFFFAOYSA-N
XLogP2.27
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109132417

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate (CID 113074692) is ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(C(=O)NC3CCCCC3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is WZAHHYUXARIXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-2-26-19(25)23-10-8-17(9-11-23)21-12-14-22(15-13-21)18(24)20-16-6-4-3-5-7-16/h16-17H,2-15H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 113074692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).