2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one

C29H43N5O3 — CID 129120607

IUPAC2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one
SMILESC=C(CCC(CC)C(=O)N1CCCCC1)c1ccc(OCC2CCN(c3nc(C(C)C)no3)CC2)nc1
InChIInChI=1S/C29H43N5O3/c1-5-24(28(35)33-15-7-6-8-16-33)10-9-22(4)25-11-12-26(30-19-25)36-20-23-13-17-34(18-14-23)29-31-27(21(2)3)32-37-29/h11-12,19,21,23-24H,4-10,13-18,20H2,1-3H3
InChIKeyQRXXLENRPXKHCX-UHFFFAOYSA-N
MW509.70 g/mol
LogP5.72
Rot. Bonds11

About 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one

2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one (PubChem CID 129120607) has the molecular formula C29H43N5O3 and a molecular weight of 509.70 g/mol. Its IUPAC name is 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one.

Molecular Properties

Compound Name2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one
PubChem CID129120607
Molecular FormulaC29H43N5O3
Molecular Weight509.70 g/mol
Exact Mass509.34
IUPAC Name2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one
SMILESC=C(CCC(CC)C(=O)N1CCCCC1)c1ccc(OCC2CCN(c3nc(C(C)C)no3)CC2)nc1
InChIInChI=1S/C29H43N5O3/c1-5-24(28(35)33-15-7-6-8-16-33)10-9-22(4)25-11-12-26(30-19-25)36-20-23-13-17-34(18-14-23)29-31-27(21(2)3)32-37-29/h11-12,19,21,23-24H,4-10,13-18,20H2,1-3H3
InChIKeyQRXXLENRPXKHCX-UHFFFAOYSA-N
XLogP5.72
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.70
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one?
The IUPAC name of 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one (CID 129120607) is 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one.
What is the SMILES notation for 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one?
The canonical SMILES for 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one is C=C(CCC(CC)C(=O)N1CCCCC1)c1ccc(OCC2CCN(c3nc(C(C)C)no3)CC2)nc1.
What is the InChIKey of 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one?
The InChIKey is QRXXLENRPXKHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O3/c1-5-24(28(35)33-15-7-6-8-16-33)10-9-22(4)25-11-12-26(30-19-25)36-20-23-13-17-34(18-14-23)29-31-27(21(2)3)32-37-29/h11-12,19,21,23-24H,4-10,13-18,20H2,1-3H3.
What are the key properties of 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one?
2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one has a molecular weight of 509.70 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one is sourced from PubChem (CID 129120607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).