ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

C15H27N3O2 — CID 170748956

IUPACethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESC=C1CCC(NC(=O)C23CC(C2)C3)C(=O)N1.CC.CN
InChIInChI=1S/C12H16N2O2.C2H6.CH5N/c1-7-2-3-9(10(15)13-7)14-11(16)12-4-8(5-12)6-12;2*1-2/h8-9H,1-6H2,(H,13,15)(H,14,16);1-2H3;2H2,1H3
InChIKeyFUBGFYLNMLMOCD-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.30
Rot. Bonds2

About ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 170748956) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Nameethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID170748956
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nameethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESC=C1CCC(NC(=O)C23CC(C2)C3)C(=O)N1.CC.CN
InChIInChI=1S/C12H16N2O2.C2H6.CH5N/c1-7-2-3-9(10(15)13-7)14-11(16)12-4-8(5-12)6-12;2*1-2/h8-9H,1-6H2,(H,13,15)(H,14,16);1-2H3;2H2,1H3
InChIKeyFUBGFYLNMLMOCD-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Di(butan-2-yl)-5-methylidenepiperazin-2-one
CID 70648150
N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 139516962
3-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 157300461
2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)propanamide
CID 158386766
(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide
CID 158642330
2,2-dimethyl-N-(6-methylidene-2-oxopiperidin-3-yl)propanamide
CID 161408901
1-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 167647096
4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 167647100
N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170748957
5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide
CID 176669671

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (CID 170748956) is ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is C=C1CCC(NC(=O)C23CC(C2)C3)C(=O)N1.CC.CN.
What is the InChIKey of ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is FUBGFYLNMLMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6.CH5N/c1-7-2-3-9(10(15)13-7)14-11(16)12-4-8(5-12)6-12;2*1-2/h8-9H,1-6H2,(H,13,15)(H,14,16);1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;N-(6-methylidene-2-oxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 170748956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).