N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

C15H27N3O2 — CID 61274075

IUPACN-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESC=COCCCNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H27N3O2/c1-2-20-12-4-8-17-15(19)14-5-3-11-18(14)13-6-9-16-10-7-13/h2,13-14,16H,1,3-12H2,(H,17,19)
InChIKeyOTACNOBLKBYOLD-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.87
Rot. Bonds7

About N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 61274075) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID61274075
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESC=COCCCNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H27N3O2/c1-2-20-12-4-8-17-15(19)14-5-3-11-18(14)13-6-9-16-10-7-13/h2,13-14,16H,1,3-12H2,(H,17,19)
InChIKeyOTACNOBLKBYOLD-UHFFFAOYSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107317753
N-(2-ethoxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 54906386
1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
N-[2-(oxolan-2-yl)ethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61040212
(3R)-N-(3-ethenoxypropyl)piperidine-3-carboxamide
CID 81140451
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 61460772
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 115360278

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 61274075) is N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is C=COCCCNC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is OTACNOBLKBYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-20-12-4-8-17-15(19)14-5-3-11-18(14)13-6-9-16-10-7-13/h2,13-14,16H,1,3-12H2,(H,17,19).
What are the key properties of N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61274075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).