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

C17H30N2O4 — CID 129491760

IUPAC(3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)N(C)CC2(O)CCCCCC2)C1
InChIInChI=1S/C17H30N2O4/c1-14(20)19-11-7-10-17(23,13-19)15(21)18(2)12-16(22)8-5-3-4-6-9-16/h22-23H,3-13H2,1-2H3/t17-/m0/s1
InChIKeyLHXKPLSWSIUEPT-KRWDZBQOSA-N
MW326.44 g/mol
LogP0.90
Rot. Bonds3

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

(3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 129491760) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID129491760
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name(3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)N(C)CC2(O)CCCCCC2)C1
InChIInChI=1S/C17H30N2O4/c1-14(20)19-11-7-10-17(23,13-19)15(21)18(2)12-16(22)8-5-3-4-6-9-16/h22-23H,3-13H2,1-2H3/t17-/m0/s1
InChIKeyLHXKPLSWSIUEPT-KRWDZBQOSA-N
XLogP0.90
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45183983
1-acetyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
CID 64459304
1-[(1-Hydroxycycloheptyl)methyl]piperidin-2-one
CID 104550057
1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
CID 111428553
N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 111428691
N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111428720
N-[(1-hydroxycycloheptyl)methyl]-1-methylpiperidine-3-carboxamide
CID 111538984
1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
CID 128987748
1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
CID 128989014
(3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
CID 129491700
(3R)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
CID 129491701
(3R)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
CID 129491761

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide (CID 129491760) is (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide is CC(=O)N1CCC[C@@](O)(C(=O)N(C)CC2(O)CCCCCC2)C1.
What is the InChIKey of (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LHXKPLSWSIUEPT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-14(20)19-11-7-10-17(23,13-19)15(21)18(2)12-16(22)8-5-3-4-6-9-16/h22-23H,3-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide?
(3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 129491760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).