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

C17H24F2N4O2 — CID 126943828

IUPACN-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C17H24F2N4O2/c18-16(19)14-9-15(24)23(11-20-14)10-12-5-7-22(8-6-12)17(25)21-13-3-1-2-4-13/h9,11-13,16H,1-8,10H2,(H,21,25)
InChIKeyBVGGMKFECOKDPD-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.55
Rot. Bonds4

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

N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 126943828) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID126943828
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC NameN-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C17H24F2N4O2/c18-16(19)14-9-15(24)23(11-20-14)10-12-5-7-22(8-6-12)17(25)21-13-3-1-2-4-13/h9,11-13,16H,1-8,10H2,(H,21,25)
InChIKeyBVGGMKFECOKDPD-UHFFFAOYSA-N
XLogP2.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(methylideneamino)-[(E)-3-methyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-en-2-yl]amino]-1H-pyrimidin-6-one
CID 137128213
N-cycloheptyl-4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidine-1-carboxamide
CID 126943387
N-cyclopentyl-4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidine-1-carboxamide
CID 126943388
N-(oxan-4-yl)-4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidine-1-carboxamide
CID 126943390
3-{[1-(2-oxo-2,3-dihydro-1H-imidazole-4-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943397
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943477
3-Methyl-6-(4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 126943529
3-Methyl-6-(4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 126943759
N-cycloheptyl-4-{[4-(difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidine-1-carboxamide
CID 126943827
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943914
6-(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 126943966
2-[3-(4-methylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741336

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide (CID 126943828) is N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is BVGGMKFECOKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c18-16(19)14-9-15(24)23(11-20-14)10-12-5-7-22(8-6-12)17(25)21-13-3-1-2-4-13/h9,11-13,16H,1-8,10H2,(H,21,25).
What are the key properties of N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide?
N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126943828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).