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

C15H23N3O — CID 81235903

IUPAC(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23N3O/c1-3-7-17-14-4-8-16-11-13(14)15(19)18-9-5-12(2)6-10-18/h4,8,11-12H,3,5-7,9-10H2,1-2H3,(H,16,17)
InChIKeyNXDDCTXQJBKALO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds4

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

(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81235903) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81235903
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23N3O/c1-3-7-17-14-4-8-16-11-13(14)15(19)18-9-5-12(2)6-10-18/h4,8,11-12H,3,5-7,9-10H2,1-2H3,(H,16,17)
InChIKeyNXDDCTXQJBKALO-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(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
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 103358219
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 81235903) is (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is NXDDCTXQJBKALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-7-17-14-4-8-16-11-13(14)15(19)18-9-5-12(2)6-10-18/h4,8,11-12H,3,5-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81235903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).