N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide

C12H22N2O3 — CID 62799373

IUPACN-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide
SMILESCCCN(C(=O)C1COCCO1)C1CCNC1
InChIInChI=1S/C12H22N2O3/c1-2-5-14(10-3-4-13-8-10)12(15)11-9-16-6-7-17-11/h10-11,13H,2-9H2,1H3
InChIKeyLCRGMSLTWIZZNX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.00
Rot. Bonds4

About N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide

N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide (PubChem CID 62799373) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide
PubChem CID62799373
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide
SMILESCCCN(C(=O)C1COCCO1)C1CCNC1
InChIInChI=1S/C12H22N2O3/c1-2-5-14(10-3-4-13-8-10)12(15)11-9-16-6-7-17-11/h10-11,13H,2-9H2,1H3
InChIKeyLCRGMSLTWIZZNX-UHFFFAOYSA-N
XLogP0.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-pyrrolidin-3-yloxolane-3-carboxamide;hydrochloride
CID 119260577
(2R)-N-piperidin-3-yl-N-propyloxolane-2-carboxamide
CID 104856269
N-piperidin-4-yl-N-propyloxolane-3-carboxamide;hydrochloride
CID 119823621
N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102874180
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
N-(2-bromoethyl)-N-cyclopentyl-1,4-dioxane-2-carboxamide
CID 80658716
N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102873929
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-1,4-dioxane-2-carboxamide
CID 62804896

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide (CID 62799373) is N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide is CCCN(C(=O)C1COCCO1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide?
The InChIKey is LCRGMSLTWIZZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-5-14(10-3-4-13-8-10)12(15)11-9-16-6-7-17-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide?
N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 62799373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).