1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide

C16H31N3O2 — CID 79647708

IUPAC1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(N2CC(C)OC(C)(C)C2)C1
InChIInChI=1S/C16H31N3O2/c1-11(2)18-16(14(17)20)7-6-13(8-16)19-9-12(3)21-15(4,5)10-19/h11-13,18H,6-10H2,1-5H3,(H2,17,20)
InChIKeyGJZLFIOEZCOEPD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.26
Rot. Bonds4

About 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide

1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide (PubChem CID 79647708) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide
PubChem CID79647708
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(N2CC(C)OC(C)(C)C2)C1
InChIInChI=1S/C16H31N3O2/c1-11(2)18-16(14(17)20)7-6-13(8-16)19-9-12(3)21-15(4,5)10-19/h11-13,18H,6-10H2,1-5H3,(H2,17,20)
InChIKeyGJZLFIOEZCOEPD-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79651615
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649025
6-methyl-3-(propan-2-ylamino)oxane-3-carboxamide
CID 164655659
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637102
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 115561603
3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79651397
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
methyl 3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627803
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide (CID 79647708) is 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(N2CC(C)OC(C)(C)C2)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is GJZLFIOEZCOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)18-16(14(17)20)7-6-13(8-16)19-9-12(3)21-15(4,5)10-19/h11-13,18H,6-10H2,1-5H3,(H2,17,20).
What are the key properties of 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide?
1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79647708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).