4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one

C18H23N5O2 — CID 135898022

IUPAC4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCN(CC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1)Cc1ccncc1
InChIInChI=1S/C18H23N5O2/c1-22(11-14-2-6-19-7-3-14)12-18(25)23-8-4-15(5-9-23)16-10-17(24)21-13-20-16/h2-3,6-7,10,13,15H,4-5,8-9,11-12H2,1H3,(H,20,21,24)
InChIKeyCNDTWQYEXBMAIH-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.00
Rot. Bonds5

About 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one

4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 135898022) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID135898022
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCN(CC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1)Cc1ccncc1
InChIInChI=1S/C18H23N5O2/c1-22(11-14-2-6-19-7-3-14)12-18(25)23-8-4-15(5-9-23)16-10-17(24)21-13-20-16/h2-3,6-7,10,13,15H,4-5,8-9,11-12H2,1H3,(H,20,21,24)
InChIKeyCNDTWQYEXBMAIH-UHFFFAOYSA-N
XLogP1.00
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 135898022) is 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one is CN(CC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1)Cc1ccncc1.
What is the InChIKey of 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is CNDTWQYEXBMAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(11-14-2-6-19-7-3-14)12-18(25)23-8-4-15(5-9-23)16-10-17(24)21-13-20-16/h2-3,6-7,10,13,15H,4-5,8-9,11-12H2,1H3,(H,20,21,24).
What are the key properties of 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 341.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135898022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).