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

C15H23N3O2 — CID 81234775

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C15H23N3O2/c1-2-6-17-14-3-7-16-10-13(14)15(20)18-8-4-12(11-19)5-9-18/h3,7,10,12,19H,2,4-6,8-9,11H2,1H3,(H,16,17)
InChIKeyCIKKFGWNZHJITE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds5

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

[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81234775) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81234775
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C15H23N3O2/c1-2-6-17-14-3-7-16-10-13(14)15(20)18-8-4-12(11-19)5-9-18/h3,7,10,12,19H,2,4-6,8-9,11H2,1H3,(H,16,17)
InChIKeyCIKKFGWNZHJITE-UHFFFAOYSA-N
XLogP1.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(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
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
(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-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone (CID 81234775) is [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is CIKKFGWNZHJITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-6-17-14-3-7-16-10-13(14)15(20)18-8-4-12(11-19)5-9-18/h3,7,10,12,19H,2,4-6,8-9,11H2,1H3,(H,16,17).
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81234775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).