1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C28H43N3O4 — CID 70689660

IUPAC1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(O)CC1
InChIInChI=1S/C28H43N3O4/c1-28(2,27(35)30-16-14-22(32)15-17-30)29-25(33)23-18-21-12-8-3-4-9-13-24(21)31(26(23)34)19-20-10-6-5-7-11-20/h18,20,22,32H,3-17,19H2,1-2H3,(H,29,33)
InChIKeyHZXIPPZNWZAVHU-UHFFFAOYSA-N
MW485.67 g/mol
LogP3.58
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 70689660) has the molecular formula C28H43N3O4 and a molecular weight of 485.67 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID70689660
Molecular FormulaC28H43N3O4
Molecular Weight485.67 g/mol
Exact Mass485.33
IUPAC Name1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(O)CC1
InChIInChI=1S/C28H43N3O4/c1-28(2,27(35)30-16-14-22(32)15-17-30)29-25(33)23-18-21-12-8-3-4-9-13-24(21)31(26(23)34)19-20-10-6-5-7-11-20/h18,20,22,32H,3-17,19H2,1-2H3,(H,29,33)
InChIKeyHZXIPPZNWZAVHU-UHFFFAOYSA-N
XLogP3.58
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 70689660) is 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is HZXIPPZNWZAVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O4/c1-28(2,27(35)30-16-14-22(32)15-17-30)29-25(33)23-18-21-12-8-3-4-9-13-24(21)31(26(23)34)19-20-10-6-5-7-11-20/h18,20,22,32H,3-17,19H2,1-2H3,(H,29,33).
What are the key properties of 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 485.67 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 70689660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).