N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide

C14H23N7O2 — CID 122254077

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1nc(CNC(=O)C2CCC(=O)NC2)nc(N(C)C)n1
InChIInChI=1S/C14H23N7O2/c1-20(2)13-17-10(18-14(19-13)21(3)4)8-16-12(23)9-5-6-11(22)15-7-9/h9H,5-8H2,1-4H3,(H,15,22)(H,16,23)
InChIKeyXWWSEUPVVCZTHD-UHFFFAOYSA-N
MW321.39 g/mol
LogP-0.85
Rot. Bonds5

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 122254077) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID122254077
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1nc(CNC(=O)C2CCC(=O)NC2)nc(N(C)C)n1
InChIInChI=1S/C14H23N7O2/c1-20(2)13-17-10(18-14(19-13)21(3)4)8-16-12(23)9-5-6-11(22)15-7-9/h9H,5-8H2,1-4H3,(H,15,22)(H,16,23)
InChIKeyXWWSEUPVVCZTHD-UHFFFAOYSA-N
XLogP-0.85
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopentanecarboxamide
CID 122252863
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533
4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 83192699
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 122254077) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide is CN(C)c1nc(CNC(=O)C2CCC(=O)NC2)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XWWSEUPVVCZTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O2/c1-20(2)13-17-10(18-14(19-13)21(3)4)8-16-12(23)9-5-6-11(22)15-7-9/h9H,5-8H2,1-4H3,(H,15,22)(H,16,23).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 321.39 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122254077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).