1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one

C13H19ClN4O2 — CID 75383905

IUPAC1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O2/c1-20-7-4-12(19)18-5-2-11(3-6-18)17-13-15-8-10(14)9-16-13/h8-9,11H,2-7H2,1H3,(H,15,16,17)
InChIKeySVPCMCGUTSVCAQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one

1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 75383905) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID75383905
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O2/c1-20-7-4-12(19)18-5-2-11(3-6-18)17-13-15-8-10(14)9-16-13/h8-9,11H,2-7H2,1H3,(H,15,16,17)
InChIKeySVPCMCGUTSVCAQ-UHFFFAOYSA-N
XLogP1.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-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

2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]propanamide
CID 71973150
1-[4-[(5-Bromopyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 75383907
2-[[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
CID 75482946
(2S)-2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopentylpropanamide
CID 97589744
3-[(5-Chloropyrimidin-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112696403
3-[(5-Chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696404
1-[(3S)-3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 129523045
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
CID 136512352
Ethyl 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 79080615
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 132176652
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methylpropanamide
CID 132176766
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]acetamide
CID 132182582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one (CID 75383905) is 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC(Nc2ncc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is SVPCMCGUTSVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-20-7-4-12(19)18-5-2-11(3-6-18)17-13-15-8-10(14)9-16-13/h8-9,11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 298.77 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 75383905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).