1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide

C16H28N2O4 — CID 128987748

IUPAC1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C16H28N2O4/c1-13(19)18-10-6-9-16(22,12-18)14(20)17-11-15(21)7-4-2-3-5-8-15/h21-22H,2-12H2,1H3,(H,17,20)
InChIKeyPGDUXQIIEPJDAZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.56
Rot. Bonds3

About 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide

1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide (PubChem CID 128987748) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
PubChem CID128987748
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C16H28N2O4/c1-13(19)18-10-6-9-16(22,12-18)14(20)17-11-15(21)7-4-2-3-5-8-15/h21-22H,2-12H2,1H3,(H,17,20)
InChIKeyPGDUXQIIEPJDAZ-UHFFFAOYSA-N
XLogP0.56
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide (CID 128987748) is 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide is CC(=O)N1CCCC(O)(C(=O)NCC2(O)CCCCCC2)C1.
What is the InChIKey of 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
The InChIKey is PGDUXQIIEPJDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-13(19)18-10-6-9-16(22,12-18)14(20)17-11-15(21)7-4-2-3-5-8-15/h21-22H,2-12H2,1H3,(H,17,20).
What are the key properties of 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 128987748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).