3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide

C14H27N3O — CID 55165904

IUPAC3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCN2CCCC2)CCNC1
InChIInChI=1S/C14H27N3O/c1-2-14(6-8-15-12-14)13(18)16-7-5-11-17-9-3-4-10-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyRUWBOWRDOOQNGA-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds6

About 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide

3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 55165904) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID55165904
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCN2CCCC2)CCNC1
InChIInChI=1S/C14H27N3O/c1-2-14(6-8-15-12-14)13(18)16-7-5-11-17-9-3-4-10-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyRUWBOWRDOOQNGA-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63141437
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
CID 106134765
3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115750111
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 55165904) is 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCCCN2CCCC2)CCNC1.
What is the InChIKey of 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is RUWBOWRDOOQNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-14(6-8-15-12-14)13(18)16-7-5-11-17-9-3-4-10-17/h15H,2-12H2,1H3,(H,16,18).
What are the key properties of 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55165904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).