(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

C16H25N3O2 — CID 81238415

IUPAC(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(OCC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-8-18-15-5-9-17-12-14(15)16(20)19-10-6-13(7-11-19)21-4-2/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H,17,18)
InChIKeyPZXXEMABSKDZGP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds6

About (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81238415) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81238415
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(OCC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-8-18-15-5-9-17-12-14(15)16(20)19-10-6-13(7-11-19)21-4-2/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H,17,18)
InChIKeyPZXXEMABSKDZGP-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
CID 81242899
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(4-ethoxypiperidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105068895
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 103358219
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 81238415) is (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCC(OCC)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is PZXXEMABSKDZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-18-15-5-9-17-12-14(15)16(20)19-10-6-13(7-11-19)21-4-2/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81238415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).