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

C14H25N3O2 — CID 153404857

IUPACN-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C2COC2)CC1
InChIInChI=1S/C14H25N3O2/c18-14(15-12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-19-11-13/h12-13H,1-11H2,(H,15,18)
InChIKeyNVSCANRSBQBEKI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.05
Rot. Bonds2

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

N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide (PubChem CID 153404857) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
PubChem CID153404857
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C2COC2)CC1
InChIInChI=1S/C14H25N3O2/c18-14(15-12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-19-11-13/h12-13H,1-11H2,(H,15,18)
InChIKeyNVSCANRSBQBEKI-UHFFFAOYSA-N
XLogP1.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
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
N-cyclopentyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919078
N-cyclohexyl-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45248209
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074692
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160864
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115760770

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide (CID 153404857) is N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C2COC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide?
The InChIKey is NVSCANRSBQBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(15-12-4-2-1-3-5-12)17-8-6-16(7-9-17)13-10-19-11-13/h12-13H,1-11H2,(H,15,18).
What are the key properties of N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.05, 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 is sourced from PubChem (CID 153404857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).