N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide

C16H29N3O — CID 63127974

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC2CCN3CCCCC23)CCNCC1
InChIInChI=1S/C16H29N3O/c1-2-16(7-9-17-10-8-16)15(20)18-13-6-12-19-11-4-3-5-14(13)19/h13-14,17H,2-12H2,1H3,(H,18,20)
InChIKeyRBRUIKMWXMJWMK-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.51
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide (PubChem CID 63127974) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide
PubChem CID63127974
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC2CCN3CCCCC23)CCNCC1
InChIInChI=1S/C16H29N3O/c1-2-16(7-9-17-10-8-16)15(20)18-13-6-12-19-11-4-3-5-14(13)19/h13-14,17H,2-12H2,1H3,(H,18,20)
InChIKeyRBRUIKMWXMJWMK-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-ethylcyclohexyl)piperidine-4-carboxamide
CID 63128033
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939666
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
CID 65465504
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120939665
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide
CID 104596177
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709848
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide (CID 63127974) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NC2CCN3CCCCC23)CCNCC1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is RBRUIKMWXMJWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-16(7-9-17-10-8-16)15(20)18-13-6-12-19-11-4-3-5-14(13)19/h13-14,17H,2-12H2,1H3,(H,18,20).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63127974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).