[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone

C16H31N3O — CID 154844605

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)C2CCCN2C(C)C)C1
InChIInChI=1S/C16H31N3O/c1-5-17(6-2)14-9-11-18(12-14)16(20)15-8-7-10-19(15)13(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGHYQWXRQTPOEPQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.80
Rot. Bonds5

About [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone (PubChem CID 154844605) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
PubChem CID154844605
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)C2CCCN2C(C)C)C1
InChIInChI=1S/C16H31N3O/c1-5-17(6-2)14-9-11-18(12-14)16(20)15-8-7-10-19(15)13(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGHYQWXRQTPOEPQ-UHFFFAOYSA-N
XLogP1.80
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 138029015
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
2-[3-(diethylamino)pyrrolidine-1-carbonyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390981
(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502802
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
CID 116683311
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089
(1-propan-2-ylpiperidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 71930142
[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869090

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone (CID 154844605) is [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone is CCN(CC)C1CCN(C(=O)C2CCCN2C(C)C)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone?
The InChIKey is GHYQWXRQTPOEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-17(6-2)14-9-11-18(12-14)16(20)15-8-7-10-19(15)13(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 154844605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).