N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide

C12H22N8O — CID 63253060

IUPACN-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2nc(N)nc(N)n2)C1
InChIInChI=1S/C12H22N8O/c13-3-4-16-10(21)8-2-1-5-20(6-8)7-9-17-11(14)19-12(15)18-9/h8H,1-7,13H2,(H,16,21)(H4,14,15,17,18,19)
InChIKeyRXVWBEYASIECBB-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.68
Rot. Bonds5

About N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 63253060) has the molecular formula C12H22N8O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID63253060
Molecular FormulaC12H22N8O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2nc(N)nc(N)n2)C1
InChIInChI=1S/C12H22N8O/c13-3-4-16-10(21)8-2-1-5-20(6-8)7-9-17-11(14)19-12(15)18-9/h8H,1-7,13H2,(H,16,21)(H4,14,15,17,18,19)
InChIKeyRXVWBEYASIECBB-UHFFFAOYSA-N
XLogP-1.68
TPSA149.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide 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-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917197
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 63252804
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 64829338

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide (CID 63253060) is N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2nc(N)nc(N)n2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RXVWBEYASIECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8O/c13-3-4-16-10(21)8-2-1-5-20(6-8)7-9-17-11(14)19-12(15)18-9/h8H,1-7,13H2,(H,16,21)(H4,14,15,17,18,19).
What are the key properties of N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63253060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).