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

C16H25N5O3 — CID 3222660

IUPACN-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)NC3CCCC3)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-23-15-18-14(19-16(20-15)24-2)21-9-7-11(8-10-21)13(22)17-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,17,22)
InChIKeyBDDWDOLYTHREDY-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.16
Rot. Bonds5

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

N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 3222660) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID3222660
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)NC3CCCC3)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-23-15-18-14(19-16(20-15)24-2)21-9-7-11(8-10-21)13(22)17-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,17,22)
InChIKeyBDDWDOLYTHREDY-UHFFFAOYSA-N
XLogP1.16
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 3222660) is N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is COc1nc(OC)nc(N2CCC(C(=O)NC3CCCC3)CC2)n1.
What is the InChIKey of N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is BDDWDOLYTHREDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-23-15-18-14(19-16(20-15)24-2)21-9-7-11(8-10-21)13(22)17-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,17,22).
What are the key properties of N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3222660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).