(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone

C17H26N2O2 — CID 116569701

IUPAC(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cncc(OC(C)C)c2)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-4-6-17(7-5-8-18-12-17)16(20)14-9-15(11-19-10-14)21-13(2)3/h9-11,13,18H,4-8,12H2,1-3H3
InChIKeyMEAVQXVSFDPEEM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds6

About (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone

(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569701) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID116569701
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cncc(OC(C)C)c2)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-4-6-17(7-5-8-18-12-17)16(20)14-9-15(11-19-10-14)21-13(2)3/h9-11,13,18H,4-8,12H2,1-3H3
InChIKeyMEAVQXVSFDPEEM-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone (CID 116569701) is (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2cncc(OC(C)C)c2)CCCNC1.
What is the InChIKey of (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is MEAVQXVSFDPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-17(7-5-8-18-12-17)16(20)14-9-15(11-19-10-14)21-13(2)3/h9-11,13,18H,4-8,12H2,1-3H3.
What are the key properties of (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone?
(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).