butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate

C18H28N2O2 — CID 139510767

IUPACbutyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate
SMILESCCCCOC(=O)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-15-22-18(21)19-12-11-16-7-9-17(10-8-16)20-13-5-4-6-14-20/h7-10H,2-6,11-15H2,1H3,(H,19,21)
InChIKeyHKGWXHWLLOZNAD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.75
Rot. Bonds7

About butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate

butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate (PubChem CID 139510767) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate
PubChem CID139510767
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namebutyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate
SMILESCCCCOC(=O)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-15-22-18(21)19-12-11-16-7-9-17(10-8-16)20-13-5-4-6-14-20/h7-10H,2-6,11-15H2,1H3,(H,19,21)
InChIKeyHKGWXHWLLOZNAD-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
1-(4-pentylphenyl)pyrrolidine
CID 168512151
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
butyl 4-(4-piperidin-1-ylphenyl)sulfonylbenzoate
CID 21178229
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
butyl N-(5-phenylpentyl)carbamate
CID 69404409
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate?
The IUPAC name of butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate (CID 139510767) is butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate.
What is the SMILES notation for butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate?
The canonical SMILES for butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate is CCCCOC(=O)NCCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate?
The InChIKey is HKGWXHWLLOZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-15-22-18(21)19-12-11-16-7-9-17(10-8-16)20-13-5-4-6-14-20/h7-10H,2-6,11-15H2,1H3,(H,19,21).
What are the key properties of butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate?
butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 139510767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).