[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone

C18H21N3O2 — CID 11426929

IUPAC[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccnc(NC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-7-10-19-17(13-16)20-15-8-11-21(12-9-15)18(22)14-5-3-2-4-6-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,19,20)
InChIKeyULYAVZFGXSQWBB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.81
Rot. Bonds4

About [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone

[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone (PubChem CID 11426929) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone
PubChem CID11426929
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccnc(NC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-7-10-19-17(13-16)20-15-8-11-21(12-9-15)18(22)14-5-3-2-4-6-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,19,20)
InChIKeyULYAVZFGXSQWBB-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone (CID 11426929) is [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone is COc1ccnc(NC2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is ULYAVZFGXSQWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-7-10-19-17(13-16)20-15-8-11-21(12-9-15)18(22)14-5-3-2-4-6-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone?
[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 311.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 11426929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).