[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone

C16H31N3O2 — CID 66258113

IUPAC[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C16H31N3O2/c1-4-17-15-12-21-11-14(15)16(20)19-9-7-13(8-10-19)18(5-2)6-3/h13-15,17H,4-12H2,1-3H3
InChIKeyYFKKNQAFPSYFIO-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds6

About [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone

[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone (PubChem CID 66258113) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
PubChem CID66258113
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C16H31N3O2/c1-4-17-15-12-21-11-14(15)16(20)19-9-7-13(8-10-19)18(5-2)6-3/h13-15,17H,4-12H2,1-3H3
InChIKeyYFKKNQAFPSYFIO-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367
[4-(ethylamino)oxolan-3-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835851
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
N-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66257526
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 66257568
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259879
1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259246
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 66256744
[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
[4-(ethylamino)oxolan-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 66260205

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone?
The IUPAC name of [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone (CID 66258113) is [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone.
What is the SMILES notation for [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone?
The canonical SMILES for [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone is CCNC1COCC1C(=O)N1CCC(N(CC)CC)CC1.
What is the InChIKey of [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone?
The InChIKey is YFKKNQAFPSYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-17-15-12-21-11-14(15)16(20)19-9-7-13(8-10-19)18(5-2)6-3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone?
[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone has a molecular weight of 297.44 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66258113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).