N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine

C18H35N5O2 — CID 162464397

IUPACN-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
SMILESC[C@@H](NC1CNCCN1)C1CCC(C2NOC(C3CCCO3)N2)CC1
InChIInChI=1S/C18H35N5O2/c1-12(21-16-11-19-8-9-20-16)13-4-6-14(7-5-13)17-22-18(25-23-17)15-3-2-10-24-15/h12-23H,2-11H2,1H3/t12-,13?,14?,15?,16?,17?,18?/m1/s1
InChIKeyNGTMSIRHFOPGQD-REUCQDEWSA-N
MW353.51 g/mol
LogP0.25
Rot. Bonds5

About N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine

N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine (PubChem CID 162464397) has the molecular formula C18H35N5O2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
PubChem CID162464397
Molecular FormulaC18H35N5O2
Molecular Weight353.51 g/mol
Exact Mass353.28
IUPAC NameN-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
SMILESC[C@@H](NC1CNCCN1)C1CCC(C2NOC(C3CCCO3)N2)CC1
InChIInChI=1S/C18H35N5O2/c1-12(21-16-11-19-8-9-20-16)13-4-6-14(7-5-13)17-22-18(25-23-17)15-3-2-10-24-15/h12-23H,2-11H2,1H3/t12-,13?,14?,15?,16?,17?,18?/m1/s1
InChIKeyNGTMSIRHFOPGQD-REUCQDEWSA-N
XLogP0.25
TPSA78.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 50.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine with MolForge

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Related Compounds

N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
CID 162464400
N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine
CID 162464370
N-propan-2-ylpiperazin-2-amine
CID 90744079
3-(oxolan-2-yl)pyrrolidine
CID 79493405
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,4]oxazepine
CID 10241032
2-(oxiran-2-yl)oxolane
CID 18759351
(2R)-N-(1-cyclopropylethyl)morpholine-2-carboxamide
CID 131110683
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260228
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
The IUPAC name of N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine (CID 162464397) is N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
The canonical SMILES for N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine is C[C@@H](NC1CNCCN1)C1CCC(C2NOC(C3CCCO3)N2)CC1.
What is the InChIKey of N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
The InChIKey is NGTMSIRHFOPGQD-REUCQDEWSA-N. The full InChI is InChI=1S/C18H35N5O2/c1-12(21-16-11-19-8-9-20-16)13-4-6-14(7-5-13)17-22-18(25-23-17)15-3-2-10-24-15/h12-23H,2-11H2,1H3/t12-,13?,14?,15?,16?,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine has a molecular weight of 353.51 g/mol, XLogP of 0.25, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine is sourced from PubChem (CID 162464397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).