(4-acetamidophenyl) piperidine-1-carboxylate

C14H18N2O3 — CID 646724

IUPAC(4-acetamidophenyl) piperidine-1-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18N2O3/c1-11(17)15-12-5-7-13(8-6-12)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyYSEVVXWMFVPJDE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.63
Rot. Bonds2

About (4-acetamidophenyl) piperidine-1-carboxylate

(4-acetamidophenyl) piperidine-1-carboxylate (PubChem CID 646724) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4-acetamidophenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) piperidine-1-carboxylate
PubChem CID646724
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(4-acetamidophenyl) piperidine-1-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18N2O3/c1-11(17)15-12-5-7-13(8-6-12)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyYSEVVXWMFVPJDE-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenacetin
CID 4754
Propacetamol
CID 68865
N-(4-Methoxyphenyl)Acetamide
CID 5827
Diacetamate
CID 17499
1-(4-Methoxyphenyl)piperazine
CID 269722
1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
N-(4-Phenoxyphenyl)acetamide
CID 80579
2-(N-hydroxyimino)-N-(4-methoxyphenyl)acetamide
CID 6411017
2,2,2-Trifluoro-N-(4-methoxy-phenyl)-acetamide
CID 101284
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
GW542573X
CID 24885053
Phenyl (4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate
CID 1317528

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) piperidine-1-carboxylate?
The IUPAC name of (4-acetamidophenyl) piperidine-1-carboxylate (CID 646724) is (4-acetamidophenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-acetamidophenyl) piperidine-1-carboxylate is CC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1.
What is the InChIKey of (4-acetamidophenyl) piperidine-1-carboxylate?
The InChIKey is YSEVVXWMFVPJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)15-12-5-7-13(8-6-12)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17).
What are the key properties of (4-acetamidophenyl) piperidine-1-carboxylate?
(4-acetamidophenyl) piperidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) piperidine-1-carboxylate is sourced from PubChem (CID 646724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).