1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide

C19H30N2O2 — CID 9443262

IUPAC1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(OCCCN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)16-5-7-17(8-6-16)23-14-4-11-21-12-9-15(10-13-21)18(20)22/h5-8,15H,4,9-14H2,1-3H3,(H2,20,22)
InChIKeyPRWNKEJESVGVTF-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.95
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide

1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide (PubChem CID 9443262) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide
PubChem CID9443262
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(OCCCN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)16-5-7-17(8-6-16)23-14-4-11-21-12-9-15(10-13-21)18(20)22/h5-8,15H,4,9-14H2,1-3H3,(H2,20,22)
InChIKeyPRWNKEJESVGVTF-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557450
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[3-(4-tert-butylphenoxy)propyl]-N-propan-2-ylpiperidin-4-amine
CID 56542513
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
CID 14407109
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-(4-tert-butylphenoxy)butanamide
CID 82041345
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[4-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111005067
ethyl 1-[3-(4-propan-2-yloxyphenoxy)propyl]piperidine-4-carboxylate
CID 6461813
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide (CID 9443262) is 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(OCCCN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide?
The InChIKey is PRWNKEJESVGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)16-5-7-17(8-6-16)23-14-4-11-21-12-9-15(10-13-21)18(20)22/h5-8,15H,4,9-14H2,1-3H3,(H2,20,22).
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide?
1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 9443262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).