[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

C17H30N4O2 — CID 56908347

IUPAC[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCCC(N(C)CCN(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-5-7-16-15(12-18-23-16)17(22)21-9-6-8-14(13-21)20(4)11-10-19(2)3/h12,14H,5-11,13H2,1-4H3
InChIKeyZEVPUYUKYWTJAZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.73
Rot. Bonds7

About [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (PubChem CID 56908347) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
PubChem CID56908347
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCCC(N(C)CCN(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-5-7-16-15(12-18-23-16)17(22)21-9-6-8-14(13-21)20(4)11-10-19(2)3/h12,14H,5-11,13H2,1-4H3
InChIKeyZEVPUYUKYWTJAZ-UHFFFAOYSA-N
XLogP1.73
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (CID 56908347) is [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is CCCc1oncc1C(=O)N1CCCC(N(C)CCN(C)C)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The InChIKey is ZEVPUYUKYWTJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-7-16-15(12-18-23-16)17(22)21-9-6-8-14(13-21)20(4)11-10-19(2)3/h12,14H,5-11,13H2,1-4H3.
What are the key properties of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone has a molecular weight of 322.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 56908347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).