(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone

C16H30N2O2 — CID 106980335

IUPAC(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-10-20-14-6-5-9-18(11-14)15(19)16(13(2)3)7-8-17-12-16/h13-14,17H,4-12H2,1-3H3
InChIKeyKGTOOJICZFJNPH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds5

About (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone

(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 106980335) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID106980335
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-10-20-14-6-5-9-18(11-14)15(19)16(13(2)3)7-8-17-12-16/h13-14,17H,4-12H2,1-3H3
InChIKeyKGTOOJICZFJNPH-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 63131367
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979625
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone (CID 106980335) is (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)C2(C(C)C)CCNC2)C1.
What is the InChIKey of (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is KGTOOJICZFJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-10-20-14-6-5-9-18(11-14)15(19)16(13(2)3)7-8-17-12-16/h13-14,17H,4-12H2,1-3H3.
What are the key properties of (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 106980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).