3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one

C19H30N4O2 — CID 126942330

IUPAC3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C3CCCCNC3=O)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-14(2)16-11-18(24)23(13-21-16)12-15-6-9-22(10-7-15)17-5-3-4-8-20-19(17)25/h11,13-15,17H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyUOTUTDKUNWPMGI-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.75
Rot. Bonds4

About 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one

3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one (PubChem CID 126942330) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one.

Molecular Properties

Compound Name3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
PubChem CID126942330
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C3CCCCNC3=O)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-14(2)16-11-18(24)23(13-21-16)12-15-6-9-22(10-7-15)17-5-3-4-8-20-19(17)25/h11,13-15,17H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyUOTUTDKUNWPMGI-UHFFFAOYSA-N
XLogP1.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136112866
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136233462
(R)-7-{[4-(6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-1-yl]carbonyl}-1,3-diazepane-2,4-dione
CID 136868804
7-[(4-{[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)methyl]azepan-2-one
CID 126943547
3-(4-{[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)azepan-2-one
CID 126943674
7-[(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)methyl]azepan-2-one
CID 126943988
3-(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)azepan-2-one
CID 126944091
3-(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)-1-methylazepan-2-one
CID 126944092
1-(2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535176
1-(2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535336
1-(2-(4-butyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 121063627

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
The IUPAC name of 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one (CID 126942330) is 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one.
What is the SMILES notation for 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
The canonical SMILES for 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one is CC(C)c1cc(=O)n(CC2CCN(C3CCCCNC3=O)CC2)cn1.
What is the InChIKey of 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
The InChIKey is UOTUTDKUNWPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)16-11-18(24)23(13-21-16)12-15-6-9-22(10-7-15)17-5-3-4-8-20-19(17)25/h11,13-15,17H,3-10,12H2,1-2H3,(H,20,25).
What are the key properties of 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one is sourced from PubChem (CID 126942330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).