[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone

C16H31N3O — CID 81465453

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CC(C)C(N(C)C)C2)CCNCC1
InChIInChI=1S/C16H31N3O/c1-5-6-16(7-9-17-10-8-16)15(20)19-11-13(2)14(12-19)18(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyZOMYFXWPRQVNBB-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds4

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone (PubChem CID 81465453) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
PubChem CID81465453
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CC(C)C(N(C)C)C2)CCNCC1
InChIInChI=1S/C16H31N3O/c1-5-6-16(7-9-17-10-8-16)15(20)19-11-13(2)14(12-19)18(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyZOMYFXWPRQVNBB-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 81463819
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 102932553
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 107219522
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
(2,5-dimethylmorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127554
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 120658201
(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
CID 63129218
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone (CID 81465453) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)N2CC(C)C(N(C)C)C2)CCNCC1.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone?
The InChIKey is ZOMYFXWPRQVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-6-16(7-9-17-10-8-16)15(20)19-11-13(2)14(12-19)18(3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 81465453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).