(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone

C16H30N2O — CID 168752483

IUPAC(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCN(C(=O)C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-12(2)15-7-10-18(11-15)16(19)14-5-8-17(9-6-14)13(3)4/h12-15H,5-11H2,1-4H3/t15-/m1/s1
InChIKeyNGMVILPLNZWYLW-OAHLLOKOSA-N
MW266.43 g/mol
LogP2.61
Rot. Bonds3

About (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone

(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 168752483) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID168752483
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCN(C(=O)C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-12(2)15-7-10-18(11-15)16(19)14-5-8-17(9-6-14)13(3)4/h12-15H,5-11H2,1-4H3/t15-/m1/s1
InChIKeyNGMVILPLNZWYLW-OAHLLOKOSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
CID 177247408
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
1,4-di(propan-2-yl)piperidine
CID 21303253
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176796856
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone (CID 168752483) is (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)[C@@H]1CCN(C(=O)C2CCN(C(C)C)CC2)C1.
What is the InChIKey of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is NGMVILPLNZWYLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)15-7-10-18(11-15)16(19)14-5-8-17(9-6-14)13(3)4/h12-15H,5-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 266.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 168752483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).