1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone

C14H21N3O2 — CID 60762093

IUPAC1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
SMILESCOc1ncccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H21N3O2/c1-11(18)17-8-5-13(6-9-17)16-10-12-4-3-7-15-14(12)19-2/h3-4,7,13,16H,5-6,8-10H2,1-2H3
InChIKeyBVWKSTLCWDCXMY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds4

About 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 60762093) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
PubChem CID60762093
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
SMILESCOc1ncccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H21N3O2/c1-11(18)17-8-5-13(6-9-17)16-10-12-4-3-7-15-14(12)19-2/h3-4,7,13,16H,5-6,8-10H2,1-2H3
InChIKeyBVWKSTLCWDCXMY-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 54927047
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone (CID 60762093) is 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone is COc1ncccc1CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is BVWKSTLCWDCXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(18)17-8-5-13(6-9-17)16-10-12-4-3-7-15-14(12)19-2/h3-4,7,13,16H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 60762093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).