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

C18H32N2O3 — CID 111428553

IUPAC1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-2-8-16(21)20-12-7-9-15(13-20)17(22)19-14-18(23)10-5-3-4-6-11-18/h15,23H,2-14H2,1H3,(H,19,22)
InChIKeyPLBWBGFEYGQXJX-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.23
Rot. Bonds5

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

1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide (PubChem CID 111428553) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
PubChem CID111428553
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-2-8-16(21)20-12-7-9-15(13-20)17(22)19-14-18(23)10-5-3-4-6-11-18/h15,23H,2-14H2,1H3,(H,19,22)
InChIKeyPLBWBGFEYGQXJX-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide (CID 111428553) is 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NCC2(O)CCCCCC2)C1.
What is the InChIKey of 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
The InChIKey is PLBWBGFEYGQXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-2-8-16(21)20-12-7-9-15(13-20)17(22)19-14-18(23)10-5-3-4-6-11-18/h15,23H,2-14H2,1H3,(H,19,22).
What are the key properties of 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide?
1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 111428553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).