azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride

C21H50ClN11O — CID 160704742

IUPACazane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride
SMILESCl.N.N.N.N.NC(=O)C(Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H29N7O.ClH.4H3N.4H2/c22-18(29)17(16-10-4-1-5-11-16)23-19-24-20(27-12-6-2-7-13-27)26-21(25-19)28-14-8-3-9-15-28;;;;;;;;;/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H2,22,29)(H,23,24,25,26);1H;4*1H3;4*1H
InChIKeyMFBRRKHOSRJVCJ-UHFFFAOYSA-N
MW508.16 g/mol
LogP4.54
Rot. Bonds6

About azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride

azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride (PubChem CID 160704742) has the molecular formula C21H50ClN11O and a molecular weight of 508.16 g/mol. Its IUPAC name is azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Nameazane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride
PubChem CID160704742
Molecular FormulaC21H50ClN11O
Molecular Weight508.16 g/mol
Exact Mass507.39
IUPAC Nameazane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride
SMILESCl.N.N.N.N.NC(=O)C(Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H29N7O.ClH.4H3N.4H2/c22-18(29)17(16-10-4-1-5-11-16)23-19-24-20(27-12-6-2-7-13-27)26-21(25-19)28-14-8-3-9-15-28;;;;;;;;;/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H2,22,29)(H,23,24,25,26);1H;4*1H3;4*1H
InChIKeyMFBRRKHOSRJVCJ-UHFFFAOYSA-N
XLogP4.54
TPSA240.27 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500508.16
LogP ≤ 54.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride 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

(2S)-2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 135106210
azane;molecular hydrogen;N-[(4-phenoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 161356785
3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid
CID 3242819
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
CID 4767455
ethyl (3R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoate
CID 40884960
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride
CID 158854620
azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
CID 162249319
2-anilino-2-phenylacetamide;ethane
CID 142824395
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497

Frequently Asked Questions

What is the IUPAC name of azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride?
The IUPAC name of azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride (CID 160704742) is azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride.
What is the SMILES notation for azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride?
The canonical SMILES for azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride is Cl.N.N.N.N.NC(=O)C(Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride?
The InChIKey is MFBRRKHOSRJVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O.ClH.4H3N.4H2/c22-18(29)17(16-10-4-1-5-11-16)23-19-24-20(27-12-6-2-7-13-27)26-21(25-19)28-14-8-3-9-15-28;;;;;;;;;/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H2,22,29)(H,23,24,25,26);1H;4*1H3;4*1H.
What are the key properties of azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride?
azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride has a molecular weight of 508.16 g/mol, XLogP of 4.54, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenylacetamide;molecular hydrogen;hydrochloride is sourced from PubChem (CID 160704742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).