N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C28H38N2O3 — CID 55875019

IUPACN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C(C)C)cc1
InChIInChI=1S/C28H38N2O3/c1-20(2)22-10-12-23(13-11-22)27(21(3)4)29-28(32)24-14-17-30(18-15-24)26(31)16-19-33-25-8-6-5-7-9-25/h5-13,20-21,24,27H,14-19H2,1-4H3,(H,29,32)
InChIKeyQKMHMNXQKQKMCI-UHFFFAOYSA-N
MW450.62 g/mol
LogP5.33
Rot. Bonds9

About N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55875019) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55875019
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C(C)C)cc1
InChIInChI=1S/C28H38N2O3/c1-20(2)22-10-12-23(13-11-22)27(21(3)4)29-28(32)24-14-17-30(18-15-24)26(31)16-19-33-25-8-6-5-7-9-25/h5-13,20-21,24,27H,14-19H2,1-4H3,(H,29,32)
InChIKeyQKMHMNXQKQKMCI-UHFFFAOYSA-N
XLogP5.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55912812
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55875019) is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CC(C)c1ccc(C(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is QKMHMNXQKQKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-20(2)22-10-12-23(13-11-22)27(21(3)4)29-28(32)24-14-17-30(18-15-24)26(31)16-19-33-25-8-6-5-7-9-25/h5-13,20-21,24,27H,14-19H2,1-4H3,(H,29,32).
What are the key properties of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 450.62 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55875019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).