[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

C20H34N2O3 — CID 155764611

IUPAC[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)CC1
InChIInChI=1S/C20H34N2O3/c1-15(2)16-3-9-21(10-4-16)19(23)17-5-11-22(12-6-17)20(24)18-7-13-25-14-8-18/h15-18H,3-14H2,1-2H3
InChIKeyMNDYJUSJQPZAKF-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.55
Rot. Bonds3

About [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155764611) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155764611
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)CC1
InChIInChI=1S/C20H34N2O3/c1-15(2)16-3-9-21(10-4-16)19(23)17-5-11-22(12-6-17)20(24)18-7-13-25-14-8-18/h15-18H,3-14H2,1-2H3
InChIKeyMNDYJUSJQPZAKF-UHFFFAOYSA-N
XLogP2.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
CID 118086789
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774

Frequently Asked Questions

What is the IUPAC name of [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155764611) is [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)CC1.
What is the InChIKey of [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is MNDYJUSJQPZAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-15(2)16-3-9-21(10-4-16)19(23)17-5-11-22(12-6-17)20(24)18-7-13-25-14-8-18/h15-18H,3-14H2,1-2H3.
What are the key properties of [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 350.50 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155764611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).