1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide

C10H14ClN5O2 — CID 62857822

IUPAC1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESCOc1nc(Cl)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C10H14ClN5O2/c1-18-10-14-8(11)13-9(15-10)16-4-2-3-6(5-16)7(12)17/h6H,2-5H2,1H3,(H2,12,17)
InChIKeyZFPGTCBBESRIDS-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.24
Rot. Bonds3

About 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide (PubChem CID 62857822) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
PubChem CID62857822
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESCOc1nc(Cl)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C10H14ClN5O2/c1-18-10-14-8(11)13-9(15-10)16-4-2-3-6(5-16)7(12)17/h6H,2-5H2,1H3,(H2,12,17)
InChIKeyZFPGTCBBESRIDS-UHFFFAOYSA-N
XLogP0.24
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide (CID 62857822) is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide is COc1nc(Cl)nc(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The InChIKey is ZFPGTCBBESRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-18-10-14-8(11)13-9(15-10)16-4-2-3-6(5-16)7(12)17/h6H,2-5H2,1H3,(H2,12,17).
What are the key properties of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 62857822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).