N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide

C18H29N5O3 — CID 651348

IUPACN-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O3/c1-25-17-20-16(21-18(22-17)26-2)23-11-9-13(10-12-23)15(24)19-14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyNDJOCFOFPNLSSI-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.94
Rot. Bonds5

About N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide

N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 651348) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID651348
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O3/c1-25-17-20-16(21-18(22-17)26-2)23-11-9-13(10-12-23)15(24)19-14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyNDJOCFOFPNLSSI-UHFFFAOYSA-N
XLogP1.94
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 651348) is N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is COc1nc(OC)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1.
What is the InChIKey of N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is NDJOCFOFPNLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-25-17-20-16(21-18(22-17)26-2)23-11-9-13(10-12-23)15(24)19-14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,19,24).
What are the key properties of N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 651348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).