(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone

C16H29N3O — CID 79170392

IUPAC(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC3CCC(C2)N3C)CCNC1
InChIInChI=1S/C16H29N3O/c1-3-7-16(8-9-17-12-16)15(20)19-10-6-13-4-5-14(11-19)18(13)2/h13-14,17H,3-12H2,1-2H3
InChIKeyBFZRYSOHPLNGAN-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds3

About (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 79170392) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID79170392
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC3CCC(C2)N3C)CCNC1
InChIInChI=1S/C16H29N3O/c1-3-7-16(8-9-17-12-16)15(20)19-10-6-13-4-5-14(11-19)18(13)2/h13-14,17H,3-12H2,1-2H3
InChIKeyBFZRYSOHPLNGAN-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 103532913
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
N-methyl-1-(3-propylpyrrolidine-3-carbonyl)piperidine-3-carboxamide
CID 103195229
(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63142267
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 114678344

Frequently Asked Questions

What is the IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 79170392) is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CCC3CCC(C2)N3C)CCNC1.
What is the InChIKey of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is BFZRYSOHPLNGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-7-16(8-9-17-12-16)15(20)19-10-6-13-4-5-14(11-19)18(13)2/h13-14,17H,3-12H2,1-2H3.
What are the key properties of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone?
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79170392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).