1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one

C15H21N3O2 — CID 60912714

IUPAC1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
SMILESCN(CCc1ccncc1)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H21N3O2/c1-17(9-4-13-2-7-16-8-3-13)12-15(20)18-10-5-14(19)6-11-18/h2-3,7-8H,4-6,9-12H2,1H3
InChIKeyPSXQRCPKRUZLRO-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.75
Rot. Bonds5

About 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one

1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one (PubChem CID 60912714) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
PubChem CID60912714
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
SMILESCN(CCc1ccncc1)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H21N3O2/c1-17(9-4-13-2-7-16-8-3-13)12-15(20)18-10-5-14(19)6-11-18/h2-3,7-8H,4-6,9-12H2,1H3
InChIKeyPSXQRCPKRUZLRO-UHFFFAOYSA-N
XLogP0.75
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591
1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
CID 79389678
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 137340836
1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026177
1-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 146043897
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 164691194
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one (CID 60912714) is 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one is CN(CCc1ccncc1)CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one?
The InChIKey is PSXQRCPKRUZLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17(9-4-13-2-7-16-8-3-13)12-15(20)18-10-5-14(19)6-11-18/h2-3,7-8H,4-6,9-12H2,1H3.
What are the key properties of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one?
1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 60912714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).