N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

C11H20N2O2 — CID 53410770

IUPACN-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCCN1
InChIInChI=1S/C11H20N2O2/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyLBAZXHXSRYJFKW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.28
Rot. Bonds3

About N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 53410770) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID53410770
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCCN1
InChIInChI=1S/C11H20N2O2/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyLBAZXHXSRYJFKW-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411528
(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 75411537
(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411531
3-(Oxan-4-yl)piperazin-2-one
CID 62390742
(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411524
(2S)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411535
1-(Piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 43212185
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
N-[[(3R)-oxolan-3-yl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 124293706
N-[2-[(3R)-oxan-3-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 125434829
N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
CID 125444775
(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 127021206

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (CID 53410770) is N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCOCC1)C1CCCN1.
What is the InChIKey of N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LBAZXHXSRYJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 53410770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).