N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

C18H28N4O2 — CID 126944735

IUPACN-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C18H28N4O2/c23-17-7-10-19-14-22(17)13-15-8-11-21(12-9-15)18(24)20-16-5-3-1-2-4-6-16/h7,10,14-16H,1-6,8-9,11-13H2,(H,20,24)
InChIKeyJHCBILHZXIYRFZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.39
Rot. Bonds3

About N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 126944735) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID126944735
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C18H28N4O2/c23-17-7-10-19-14-22(17)13-15-8-11-21(12-9-15)18(24)20-16-5-3-1-2-4-6-16/h7,10,14-16H,1-6,8-9,11-13H2,(H,20,24)
InChIKeyJHCBILHZXIYRFZ-UHFFFAOYSA-N
XLogP2.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (CID 126944735) is N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is O=C(NC1CCCCCC1)N1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is JHCBILHZXIYRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17-7-10-19-14-22(17)13-15-8-11-21(12-9-15)18(24)20-16-5-3-1-2-4-6-16/h7,10,14-16H,1-6,8-9,11-13H2,(H,20,24).
What are the key properties of N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126944735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).