1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide

C17H31N7O — CID 37210288

IUPAC1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C17H31N7O/c1-5-6-9-19-15(25)13-7-10-24(11-8-13)12(2)14-20-16(18)22-17(21-14)23(3)4/h12-13H,5-11H2,1-4H3,(H,19,25)(H2,18,20,21,22)/t12-/m1/s1
InChIKeyGDSLPONHTQOTPM-GFCCVEGCSA-N
MW349.48 g/mol
LogP1.21
Rot. Bonds7

About 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide

1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide (PubChem CID 37210288) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide
PubChem CID37210288
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C17H31N7O/c1-5-6-9-19-15(25)13-7-10-24(11-8-13)12(2)14-20-16(18)22-17(21-14)23(3)4/h12-13H,5-11H2,1-4H3,(H,19,25)(H2,18,20,21,22)/t12-/m1/s1
InChIKeyGDSLPONHTQOTPM-GFCCVEGCSA-N
XLogP1.21
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
CID 34682450
1-[4-[[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133419277
3-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 133421694
[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone
CID 42888235
2-Amino-N-(1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)-4-methylpentanamide
CID 597304
2-Amino-N-(1-[((1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)amino)carbonyl]-3-methylbutyl)-4-methylpentanamide
CID 624283
3-Methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one
CID 90033394
N-cyclopropyl-4-ethyl-5-[N'-[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]carbamimidoyl]iminohexanamide
CID 91003784
1-[2-[Cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 142081499
2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
CID 142081502
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide
CID 163515594
2-[Methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 167424711

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide (CID 37210288) is 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide?
The InChIKey is GDSLPONHTQOTPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H31N7O/c1-5-6-9-19-15(25)13-7-10-24(11-8-13)12(2)14-20-16(18)22-17(21-14)23(3)4/h12-13H,5-11H2,1-4H3,(H,19,25)(H2,18,20,21,22)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide?
1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 37210288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).