[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate

C19H23ClN6O3 — CID 42925531

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESCN(C)c1nc(N)nc(COC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H23ClN6O3/c1-25(2)19-23-15(22-18(21)24-19)11-29-17(28)13-4-3-9-26(10-13)16(27)12-5-7-14(20)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyUVZUQHDBBRAOOS-UHFFFAOYSA-N
MW418.89 g/mol
LogP1.77
Rot. Bonds5

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate (PubChem CID 42925531) has the molecular formula C19H23ClN6O3 and a molecular weight of 418.89 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
PubChem CID42925531
Molecular FormulaC19H23ClN6O3
Molecular Weight418.89 g/mol
Exact Mass418.15
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESCN(C)c1nc(N)nc(COC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H23ClN6O3/c1-25(2)19-23-15(22-18(21)24-19)11-29-17(28)13-4-3-9-26(10-13)16(27)12-5-7-14(20)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyUVZUQHDBBRAOOS-UHFFFAOYSA-N
XLogP1.77
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate with MolForge

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Related Compounds

cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 51455141
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42918297
(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 40960869
ethyl 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17119264
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
ethyl 1-[4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate
CID 42754449
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 42908642
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate (CID 42925531) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate is CN(C)c1nc(N)nc(COC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The InChIKey is UVZUQHDBBRAOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O3/c1-25(2)19-23-15(22-18(21)24-19)11-29-17(28)13-4-3-9-26(10-13)16(27)12-5-7-14(20)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate has a molecular weight of 418.89 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 42925531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).