[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone

C22H29N3O3 — CID 141280408

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone
SMILESCC(C)Oc1cc(C(=O)N2CCC(CCN)CC2)cc(Oc2ccccc2)n1
InChIInChI=1S/C22H29N3O3/c1-16(2)27-20-14-18(15-21(24-20)28-19-6-4-3-5-7-19)22(26)25-12-9-17(8-11-23)10-13-25/h3-7,14-17H,8-13,23H2,1-2H3
InChIKeyZFPNQUYMNYMLHE-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.86
Rot. Bonds7

About [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone

[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone (PubChem CID 141280408) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone
PubChem CID141280408
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone
SMILESCC(C)Oc1cc(C(=O)N2CCC(CCN)CC2)cc(Oc2ccccc2)n1
InChIInChI=1S/C22H29N3O3/c1-16(2)27-20-14-18(15-21(24-20)28-19-6-4-3-5-7-19)22(26)25-12-9-17(8-11-23)10-13-25/h3-7,14-17H,8-13,23H2,1-2H3
InChIKeyZFPNQUYMNYMLHE-UHFFFAOYSA-N
XLogP3.86
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone (CID 141280408) is [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone is CC(C)Oc1cc(C(=O)N2CCC(CCN)CC2)cc(Oc2ccccc2)n1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone?
The InChIKey is ZFPNQUYMNYMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(2)27-20-14-18(15-21(24-20)28-19-6-4-3-5-7-19)22(26)25-12-9-17(8-11-23)10-13-25/h3-7,14-17H,8-13,23H2,1-2H3.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone?
[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone has a molecular weight of 383.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone is sourced from PubChem (CID 141280408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).