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

C16H25N3O — CID 81240564

IUPAC(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C16H25N3O/c1-4-8-18-14-5-9-17-12-13(14)15(20)19-10-6-16(2,3)7-11-19/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,17,18)
InChIKeyMOQMLOGXYPCBLN-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds4

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

(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81240564) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81240564
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C16H25N3O/c1-4-8-18-14-5-9-17-12-13(14)15(20)19-10-6-16(2,3)7-11-19/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,17,18)
InChIKeyMOQMLOGXYPCBLN-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 103358219
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235124
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
N-(1-methylcyclopentyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245301
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 81240564) is (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is MOQMLOGXYPCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-8-18-14-5-9-17-12-13(14)15(20)19-10-6-16(2,3)7-11-19/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,17,18).
What are the key properties of (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81240564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).