N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide

C30H51N5O3 — CID 86267338

IUPACN-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCOCCc1cc(N2CCN(CCC3CCC(NC(=O)C4CCC(O)CC4)CC3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C30H51N5O3/c1-30(2,3)29-32-25(14-20-38-4)21-27(33-29)35-18-16-34(17-19-35)15-13-22-5-9-24(10-6-22)31-28(37)23-7-11-26(36)12-8-23/h21-24,26,36H,5-20H2,1-4H3,(H,31,37)
InChIKeyIDOMSJDEDQUAKX-UHFFFAOYSA-N
MW529.77 g/mol
LogP3.70
Rot. Bonds9

About N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide

N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 86267338) has the molecular formula C30H51N5O3 and a molecular weight of 529.77 g/mol. Its IUPAC name is N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID86267338
Molecular FormulaC30H51N5O3
Molecular Weight529.77 g/mol
Exact Mass529.40
IUPAC NameN-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCOCCc1cc(N2CCN(CCC3CCC(NC(=O)C4CCC(O)CC4)CC3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C30H51N5O3/c1-30(2,3)29-32-25(14-20-38-4)21-27(33-29)35-18-16-34(17-19-35)15-13-22-5-9-24(10-6-22)31-28(37)23-7-11-26(36)12-8-23/h21-24,26,36H,5-20H2,1-4H3,(H,31,37)
InChIKeyIDOMSJDEDQUAKX-UHFFFAOYSA-N
XLogP3.70
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(3R)-4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
CID 86269610
[2-[[3-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclobutyl]amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 90112847
N-[3-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclobutyl]-3-hydroxycyclobutane-1-carboxamide
CID 86270188
N-[4-[2-[4-[2-tert-butyl-6-[2-(trifluoromethoxy)ethyl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 90272449
N-[4-[2-[4-[2-tert-butyl-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]formamide
CID 90272435
N-[4-[2-[(3S)-4-[2-tert-butyl-6-[2-(difluoromethoxy)ethyl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 90112096
N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 169009110
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 84589613
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one
CID 67242516

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide (CID 86267338) is N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide is COCCc1cc(N2CCN(CCC3CCC(NC(=O)C4CCC(O)CC4)CC3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is IDOMSJDEDQUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N5O3/c1-30(2,3)29-32-25(14-20-38-4)21-27(33-29)35-18-16-34(17-19-35)15-13-22-5-9-24(10-6-22)31-28(37)23-7-11-26(36)12-8-23/h21-24,26,36H,5-20H2,1-4H3,(H,31,37).
What are the key properties of N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide?
N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 529.77 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 86267338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).