N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide

C22H34N2O3 — CID 55718257

IUPACN-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)COc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C22H34N2O3/c1-4-5-6-12-23-22(26)18-10-13-24(14-11-18)21(25)16-27-20-9-7-8-19(15-20)17(2)3/h7-9,15,17-18H,4-6,10-14,16H2,1-3H3,(H,23,26)
InChIKeyVHCNOOBBEKSFQT-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.73
Rot. Bonds9

About N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide

N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 55718257) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID55718257
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC NameN-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)COc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C22H34N2O3/c1-4-5-6-12-23-22(26)18-10-13-24(14-11-18)21(25)16-27-20-9-7-8-19(15-20)17(2)3/h7-9,15,17-18H,4-6,10-14,16H2,1-3H3,(H,23,26)
InChIKeyVHCNOOBBEKSFQT-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.73
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-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
CID 55718088
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 119664519
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 95158904
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
CID 134003439
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide (CID 55718257) is N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)COc2cccc(C(C)C)c2)CC1.
What is the InChIKey of N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is VHCNOOBBEKSFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-4-5-6-12-23-22(26)18-10-13-24(14-11-18)21(25)16-27-20-9-7-8-19(15-20)17(2)3/h7-9,15,17-18H,4-6,10-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 374.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55718257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).