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

C19H28F2N4O2 — CID 126943827

IUPACN-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C19H28F2N4O2/c20-18(21)16-11-17(26)25(13-22-16)12-14-7-9-24(10-8-14)19(27)23-15-5-3-1-2-4-6-15/h11,13-15,18H,1-10,12H2,(H,23,27)
InChIKeyFSEUAECEVSADNH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.33
Rot. Bonds4

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

N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 126943827) has the molecular formula C19H28F2N4O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID126943827
Molecular FormulaC19H28F2N4O2
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC NameN-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C19H28F2N4O2/c20-18(21)16-11-17(26)25(13-22-16)12-14-7-9-24(10-8-14)19(27)23-15-5-3-1-2-4-6-15/h11,13-15,18H,1-10,12H2,(H,23,27)
InChIKeyFSEUAECEVSADNH-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide (CID 126943827) is N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCCCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is FSEUAECEVSADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O2/c20-18(21)16-11-17(26)25(13-22-16)12-14-7-9-24(10-8-14)19(27)23-15-5-3-1-2-4-6-15/h11,13-15,18H,1-10,12H2,(H,23,27).
What are the key properties of N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126943827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).