1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one

C19H36N2O — CID 167479469

IUPAC1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCC(C)C1CCN(C(=O)CCCN2CC[C@H](C(C)C)C2)CC1
InChIInChI=1S/C19H36N2O/c1-15(2)17-8-12-21(13-9-17)19(22)6-5-10-20-11-7-18(14-20)16(3)4/h15-18H,5-14H2,1-4H3/t18-/m0/s1
InChIKeyRTVOOHMKCQACLO-SFHVURJKSA-N
MW308.51 g/mol
LogP3.64
Rot. Bonds6

About 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one

1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one (PubChem CID 167479469) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
PubChem CID167479469
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
SMILESCC(C)C1CCN(C(=O)CCCN2CC[C@H](C(C)C)C2)CC1
InChIInChI=1S/C19H36N2O/c1-15(2)17-8-12-21(13-9-17)19(22)6-5-10-20-11-7-18(14-20)16(3)4/h15-18H,5-14H2,1-4H3/t18-/m0/s1
InChIKeyRTVOOHMKCQACLO-SFHVURJKSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
1-[6-oxo-6-[(3R)-3-propan-2-ylpyrrolidin-1-yl]hexyl]pyrrole-2,5-dione
CID 134403317
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155
1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
CID 167480070
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one (CID 167479469) is 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one is CC(C)C1CCN(C(=O)CCCN2CC[C@H](C(C)C)C2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
The InChIKey is RTVOOHMKCQACLO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H36N2O/c1-15(2)17-8-12-21(13-9-17)19(22)6-5-10-20-11-7-18(14-20)16(3)4/h15-18H,5-14H2,1-4H3/t18-/m0/s1.
What are the key properties of 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one?
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one has a molecular weight of 308.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 167479469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).