2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone

C14H21N3O2 — CID 62990090

IUPAC2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
SMILESCOc1cc(CNCC(=O)N2CCCCC2)ccn1
InChIInChI=1S/C14H21N3O2/c1-19-13-9-12(5-6-16-13)10-15-11-14(18)17-7-3-2-4-8-17/h5-6,9,15H,2-4,7-8,10-11H2,1H3
InChIKeyQCWDRRZUNJNFEJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds5

About 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone

2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone (PubChem CID 62990090) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
PubChem CID62990090
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
SMILESCOc1cc(CNCC(=O)N2CCCCC2)ccn1
InChIInChI=1S/C14H21N3O2/c1-19-13-9-12(5-6-16-13)10-15-11-14(18)17-7-3-2-4-8-17/h5-6,9,15H,2-4,7-8,10-11H2,1H3
InChIKeyQCWDRRZUNJNFEJ-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
2-[(3-bromo-4-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112684699
2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
CID 54896178
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55140934
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
1-(azepan-1-yl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanone
CID 107230604

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone (CID 62990090) is 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone is COc1cc(CNCC(=O)N2CCCCC2)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone?
The InChIKey is QCWDRRZUNJNFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-9-12(5-6-16-13)10-15-11-14(18)17-7-3-2-4-8-17/h5-6,9,15H,2-4,7-8,10-11H2,1H3.
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone?
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 62990090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).