(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone

C16H25N3O — CID 123428768

IUPAC(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
SMILESCCCC1(CC)CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-3-6-16(4-2)7-10-19(11-8-16)15(20)13-5-9-18-14(17)12-13/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H2,17,18)
InChIKeyHCBPCJGRWPCEEI-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.10
Rot. Bonds4

About (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone

(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone (PubChem CID 123428768) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
PubChem CID123428768
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
SMILESCCCC1(CC)CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C16H25N3O/c1-3-6-16(4-2)7-10-19(11-8-16)15(20)13-5-9-18-14(17)12-13/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H2,17,18)
InChIKeyHCBPCJGRWPCEEI-UHFFFAOYSA-N
XLogP3.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone (CID 123428768) is (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone is CCCC1(CC)CCN(C(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone?
The InChIKey is HCBPCJGRWPCEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-6-16(4-2)7-10-19(11-8-16)15(20)13-5-9-18-14(17)12-13/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H2,17,18).
What are the key properties of (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone?
(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 123428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).