N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

C18H28FN5O2 — CID 167860606

IUPACN-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NC(C)C3CCC(F)CC3)CC2)ncn1
InChIInChI=1S/C18H28FN5O2/c1-13(14-3-5-15(19)6-4-14)22-18(25)24-9-7-23(8-10-24)16-11-17(26-2)21-12-20-16/h11-15H,3-10H2,1-2H3,(H,22,25)
InChIKeyRIBLLSYLUWIQNS-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 167860606) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID167860606
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC NameN-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NC(C)C3CCC(F)CC3)CC2)ncn1
InChIInChI=1S/C18H28FN5O2/c1-13(14-3-5-15(19)6-4-14)22-18(25)24-9-7-23(8-10-24)16-11-17(26-2)21-12-20-16/h11-15H,3-10H2,1-2H3,(H,22,25)
InChIKeyRIBLLSYLUWIQNS-UHFFFAOYSA-N
XLogP2.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600483
1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 84601054
1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 86926097
(4S)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99836108
(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99836109
N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 121518001
N-(2,2-difluoroethyl)-4-[(6-ethoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 121532461
3-{4-[(6-Methoxypyrimidin-4-yl)amino]piperidin-1-yl}-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126888222
2,2,2-Trifluoro-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346933
1-[4-[[(6-Ethoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133485946

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (CID 167860606) is N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)NC(C)C3CCC(F)CC3)CC2)ncn1.
What is the InChIKey of N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is RIBLLSYLUWIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-13(14-3-5-15(19)6-4-14)22-18(25)24-9-7-23(8-10-24)16-11-17(26-2)21-12-20-16/h11-15H,3-10H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorocyclohexyl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167860606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).