(4-acetamidophenyl)methyl piperidine-1-carboxylate

C15H20N2O3 — CID 67794998

IUPAC(4-acetamidophenyl)methyl piperidine-1-carboxylate
SMILESCC(=O)Nc1ccc(COC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-12(18)16-14-7-5-13(6-8-14)11-20-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyDSSADVICCNJNJD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.77
Rot. Bonds3

About (4-acetamidophenyl)methyl piperidine-1-carboxylate

(4-acetamidophenyl)methyl piperidine-1-carboxylate (PubChem CID 67794998) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (4-acetamidophenyl)methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl)methyl piperidine-1-carboxylate
PubChem CID67794998
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(4-acetamidophenyl)methyl piperidine-1-carboxylate
SMILESCC(=O)Nc1ccc(COC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-12(18)16-14-7-5-13(6-8-14)11-20-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyDSSADVICCNJNJD-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)methyl piperidine-1-carboxylate
CID 67586124
benzyl piperidine-1-carboxylate
CID 158057698
(2-chlorophenyl)methyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 74226982
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
(4-nitrophenyl)methyl piperidine-1-carboxylate
CID 14021155
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
fluoromethyl piperidine-1-carboxylate
CID 141168732
2-(4-acetamidophenyl)-N-cyclopentyloxyacetamide
CID 83202703
ethyl 4-[3-(4-acetamidoanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950364
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)methyl piperidine-1-carboxylate?
The IUPAC name of (4-acetamidophenyl)methyl piperidine-1-carboxylate (CID 67794998) is (4-acetamidophenyl)methyl piperidine-1-carboxylate.
What is the SMILES notation for (4-acetamidophenyl)methyl piperidine-1-carboxylate?
The canonical SMILES for (4-acetamidophenyl)methyl piperidine-1-carboxylate is CC(=O)Nc1ccc(COC(=O)N2CCCCC2)cc1.
What is the InChIKey of (4-acetamidophenyl)methyl piperidine-1-carboxylate?
The InChIKey is DSSADVICCNJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)16-14-7-5-13(6-8-14)11-20-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of (4-acetamidophenyl)methyl piperidine-1-carboxylate?
(4-acetamidophenyl)methyl piperidine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)methyl piperidine-1-carboxylate is sourced from PubChem (CID 67794998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).