1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

C26H37N3O5 — CID 165372779

IUPAC1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(C(=O)N2CCC(OC3CCC(OC(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C26H37N3O5/c1-17(2)33-20-6-8-21(9-7-20)34-22-10-13-28(14-11-22)25(31)19-5-4-18(3)23(16-19)29-15-12-24(30)27-26(29)32/h4-5,16-17,20-22H,6-15H2,1-3H3,(H,27,30,32)
InChIKeyXNRVQCFOUTZCPR-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.80
Rot. Bonds6

About 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 165372779) has the molecular formula C26H37N3O5 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID165372779
Molecular FormulaC26H37N3O5
Molecular Weight471.60 g/mol
Exact Mass471.27
IUPAC Name1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(C(=O)N2CCC(OC3CCC(OC(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C26H37N3O5/c1-17(2)33-20-6-8-21(9-7-20)34-22-10-13-28(14-11-22)25(31)19-5-4-18(3)23(16-19)29-15-12-24(30)27-26(29)32/h4-5,16-17,20-22H,6-15H2,1-3H3,(H,27,30,32)
InChIKeyXNRVQCFOUTZCPR-UHFFFAOYSA-N
XLogP3.80
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (CID 165372779) is 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is Cc1ccc(C(=O)N2CCC(OC3CCC(OC(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is XNRVQCFOUTZCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5/c1-17(2)33-20-6-8-21(9-7-20)34-22-10-13-28(14-11-22)25(31)19-5-4-18(3)23(16-19)29-15-12-24(30)27-26(29)32/h4-5,16-17,20-22H,6-15H2,1-3H3,(H,27,30,32).
What are the key properties of 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 471.60 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165372779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).