8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide

C14H25N3O — CID 67587387

IUPAC8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCCN1C2CCC1CC(C(N)=O)(N1CCCC1)C2
InChIInChI=1S/C14H25N3O/c1-2-17-11-5-6-12(17)10-14(9-11,13(15)18)16-7-3-4-8-16/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyDMOXHLRXTQIEEI-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.95
Rot. Bonds3

About 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide

8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 67587387) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID67587387
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCCN1C2CCC1CC(C(N)=O)(N1CCCC1)C2
InChIInChI=1S/C14H25N3O/c1-2-17-11-5-6-12(17)10-14(9-11,13(15)18)16-7-3-4-8-16/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyDMOXHLRXTQIEEI-UHFFFAOYSA-N
XLogP0.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 710213
(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide
CID 142667571
1-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)butyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 101060427
(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate
CID 14762754
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066897
3-(1,4-diazepan-1-yl)-5-methylthiolane-3-carboxamide
CID 79949170
1-(1,4-diazepan-1-yl)-3,3,5-trimethylcyclohexane-1-carboxamide
CID 61005750
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
CID 143410783

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 67587387) is 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide is CCN1C2CCC1CC(C(N)=O)(N1CCCC1)C2.
What is the InChIKey of 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is DMOXHLRXTQIEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-17-11-5-6-12(17)10-14(9-11,13(15)18)16-7-3-4-8-16/h11-12H,2-10H2,1H3,(H2,15,18).
What are the key properties of 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 67587387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).