(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one

C24H29N3O4 — CID 172660694

IUPAC(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C24H29N3O4/c1-16-11-12-27(19-7-9-20(28)10-8-19)24(31)22(16)23(30)26-14-18(25-21(29)15-26)13-17-5-3-2-4-6-17/h2-6,11-12,18-20,28H,7-10,13-15H2,1H3,(H,25,29)/t18-,19?,20?/m0/s1
InChIKeyRDHWOAKLQGTRDS-HDYDNRTBSA-N
MW423.51 g/mol
LogP1.82
Rot. Bonds4

About (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one

(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one (PubChem CID 172660694) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
PubChem CID172660694
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C24H29N3O4/c1-16-11-12-27(19-7-9-20(28)10-8-19)24(31)22(16)23(30)26-14-18(25-21(29)15-26)13-17-5-3-2-4-6-17/h2-6,11-12,18-20,28H,7-10,13-15H2,1H3,(H,25,29)/t18-,19?,20?/m0/s1
InChIKeyRDHWOAKLQGTRDS-HDYDNRTBSA-N
XLogP1.82
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one (CID 172660694) is (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one is Cc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one?
The InChIKey is RDHWOAKLQGTRDS-HDYDNRTBSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16-11-12-27(19-7-9-20(28)10-8-19)24(31)22(16)23(30)26-14-18(25-21(29)15-26)13-17-5-3-2-4-6-17/h2-6,11-12,18-20,28H,7-10,13-15H2,1H3,(H,25,29)/t18-,19?,20?/m0/s1.
What are the key properties of (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one?
(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one has a molecular weight of 423.51 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 172660694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).