(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide

C15H26N4O2 — CID 146072589

IUPAC(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
SMILESCCN1C[C@H]2CN(C(=O)NC3CCCC3)C[C@@H](C1)C(=O)N2
InChIInChI=1S/C15H26N4O2/c1-2-18-7-11-8-19(10-13(9-18)16-14(11)20)15(21)17-12-5-3-4-6-12/h11-13H,2-10H2,1H3,(H,16,20)(H,17,21)/t11-,13+/m1/s1
InChIKeyJHCCLAGYZCKBHI-YPMHNXCESA-N
MW294.40 g/mol
LogP0.39
Rot. Bonds2

About (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide

(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide (PubChem CID 146072589) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
PubChem CID146072589
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
SMILESCCN1C[C@H]2CN(C(=O)NC3CCCC3)C[C@@H](C1)C(=O)N2
InChIInChI=1S/C15H26N4O2/c1-2-18-7-11-8-19(10-13(9-18)16-14(11)20)15(21)17-12-5-3-4-6-12/h11-13H,2-10H2,1H3,(H,16,20)(H,17,21)/t11-,13+/m1/s1
InChIKeyJHCCLAGYZCKBHI-YPMHNXCESA-N
XLogP0.39
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide with MolForge

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Related Compounds

(1S,5R)-3-(2-cyclopentylacetyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
CID 146072579
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
N-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 113003723
(7S,9aR)-N-cyclohexyl-7-ethyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 56859198
N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159553
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide?
The IUPAC name of (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide (CID 146072589) is (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide is CCN1C[C@H]2CN(C(=O)NC3CCCC3)C[C@@H](C1)C(=O)N2.
What is the InChIKey of (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide?
The InChIKey is JHCCLAGYZCKBHI-YPMHNXCESA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-18-7-11-8-19(10-13(9-18)16-14(11)20)15(21)17-12-5-3-4-6-12/h11-13H,2-10H2,1H3,(H,16,20)(H,17,21)/t11-,13+/m1/s1.
What are the key properties of (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide?
(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide is sourced from PubChem (CID 146072589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).