1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide

C18H30N6O2 — CID 133344788

IUPAC1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2nc(OC)nc(N3CCCCCC3)n2)C1
InChIInChI=1S/C18H30N6O2/c1-3-19-15(25)14-9-8-12-24(13-14)17-20-16(21-18(22-17)26-2)23-10-6-4-5-7-11-23/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyTVFZRKCVDQTJTM-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.61
Rot. Bonds5

About 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide

1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide (PubChem CID 133344788) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
PubChem CID133344788
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2nc(OC)nc(N3CCCCCC3)n2)C1
InChIInChI=1S/C18H30N6O2/c1-3-19-15(25)14-9-8-12-24(13-14)17-20-16(21-18(22-17)26-2)23-10-6-4-5-7-11-23/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyTVFZRKCVDQTJTM-UHFFFAOYSA-N
XLogP1.61
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide
CID 122253254
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133397690
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate
CID 158679002
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357717
(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide (CID 133344788) is 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(c2nc(OC)nc(N3CCCCCC3)n2)C1.
What is the InChIKey of 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is TVFZRKCVDQTJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-3-19-15(25)14-9-8-12-24(13-14)17-20-16(21-18(22-17)26-2)23-10-6-4-5-7-11-23/h14H,3-13H2,1-2H3,(H,19,25).
What are the key properties of 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide?
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 133344788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).