(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone

C14H26N2O2 — CID 63142267

IUPAC(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCCOC(C)C2)CCNC1
InChIInChI=1S/C14H26N2O2/c1-3-5-14(6-7-15-11-14)13(17)16-8-4-9-18-12(2)10-16/h12,15H,3-11H2,1-2H3
InChIKeyTUDDULBFZVMRGS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

About (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone

(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 63142267) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID63142267
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCCOC(C)C2)CCNC1
InChIInChI=1S/C14H26N2O2/c1-3-5-14(6-7-15-11-14)13(17)16-8-4-9-18-12(2)10-16/h12,15H,3-11H2,1-2H3
InChIKeyTUDDULBFZVMRGS-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 102932553
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
N-methyl-1-(3-propylpyrrolidine-3-carbonyl)piperidine-3-carboxamide
CID 103195229
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 103532913
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 79170392
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 114678344
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 81463819

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 63142267) is (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CCCOC(C)C2)CCNC1.
What is the InChIKey of (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is TUDDULBFZVMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-14(6-7-15-11-14)13(17)16-8-4-9-18-12(2)10-16/h12,15H,3-11H2,1-2H3.
What are the key properties of (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone?
(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63142267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).