N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane

C16H31N3O2 — CID 153404856

IUPACN-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
SMILESCC.O=C(NC1CCCCC1)N1CCN(C2COC2)CC1
InChIInChI=1S/C14H25N3O2.C2H6/c18-14(15-12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-19-11-13;1-2/h12-13H,1-11H2,(H,15,18);1-2H3
InChIKeyAKYHDPFLSLBFAT-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.07
Rot. Bonds2

About N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane

N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane (PubChem CID 153404856) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
PubChem CID153404856
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
SMILESCC.O=C(NC1CCCCC1)N1CCN(C2COC2)CC1
InChIInChI=1S/C14H25N3O2.C2H6/c18-14(15-12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-19-11-13;1-2/h12-13H,1-11H2,(H,15,18);1-2H3
InChIKeyAKYHDPFLSLBFAT-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109610
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074692
N-cyclopentyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919078
N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane
CID 156836966
N-cyclohexyl-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45248209
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160864

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane?
The IUPAC name of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane (CID 153404856) is N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane.
What is the SMILES notation for N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane?
The canonical SMILES for N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane is CC.O=C(NC1CCCCC1)N1CCN(C2COC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane?
The InChIKey is AKYHDPFLSLBFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.C2H6/c18-14(15-12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-19-11-13;1-2/h12-13H,1-11H2,(H,15,18);1-2H3.
What are the key properties of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane?
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane has a molecular weight of 297.44 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane is sourced from PubChem (CID 153404856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).