1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide

C24H43N5O3 — CID 140515803

IUPAC1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)NC2)CC1
InChIInChI=1S/C24H43N5O3/c1-32-21-8-4-16(5-9-21)19-14-26-24(27-15-19)28-20-6-2-18(3-7-20)23(31)29-12-10-17(11-13-29)22(25)30/h16-21,24,26-28H,2-15H2,1H3,(H2,25,30)
InChIKeyFBRNEAPTHXQVID-UHFFFAOYSA-N
MW449.64 g/mol
LogP1.16
Rot. Bonds6

About 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide

1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide (PubChem CID 140515803) has the molecular formula C24H43N5O3 and a molecular weight of 449.64 g/mol. Its IUPAC name is 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide
PubChem CID140515803
Molecular FormulaC24H43N5O3
Molecular Weight449.64 g/mol
Exact Mass449.34
IUPAC Name1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)NC2)CC1
InChIInChI=1S/C24H43N5O3/c1-32-21-8-4-16(5-9-21)19-14-26-24(27-15-19)28-20-6-2-18(3-7-20)23(31)29-12-10-17(11-13-29)22(25)30/h16-21,24,26-28H,2-15H2,1H3,(H2,25,30)
InChIKeyFBRNEAPTHXQVID-UHFFFAOYSA-N
XLogP1.16
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidine-4-carboxamide
CID 140515938
[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 140516044
N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140516046
[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 140515949
[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone
CID 140515820
N-[1-[[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 140515848
ethyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516163
methyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516012
methyl 4-[[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 140515748
(4-hydroxypiperidin-1-yl)-(4-methoxycyclohexyl)methanone
CID 112531209
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
N-(3-imidazol-1-ylpropyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide (CID 140515803) is 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide is COC1CCC(C2CNC(NC3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)NC2)CC1.
What is the InChIKey of 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide?
The InChIKey is FBRNEAPTHXQVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O3/c1-32-21-8-4-16(5-9-21)19-14-26-24(27-15-19)28-20-6-2-18(3-7-20)23(31)29-12-10-17(11-13-29)22(25)30/h16-21,24,26-28H,2-15H2,1H3,(H2,25,30).
What are the key properties of 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide?
1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide has a molecular weight of 449.64 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 140515803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).