N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide

C27H36N2O3 — CID 108553085

IUPACN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c1-5-6-20-7-13-24(14-8-20)32-19-25(30)28-23-15-17-29(18-16-23)26(31)21-9-11-22(12-10-21)27(2,3)4/h7-14,23H,5-6,15-19H2,1-4H3,(H,28,30)
InChIKeyKKVFRUVRTVPRFV-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.74
Rot. Bonds7

About N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide (PubChem CID 108553085) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
PubChem CID108553085
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC NameN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c1-5-6-20-7-13-24(14-8-20)32-19-25(30)28-23-15-17-29(18-16-23)26(31)21-9-11-22(12-10-21)27(2,3)4/h7-14,23H,5-6,15-19H2,1-4H3,(H,28,30)
InChIKeyKKVFRUVRTVPRFV-UHFFFAOYSA-N
XLogP4.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108553048
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide
CID 112807627
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
tert-butyl N-[3-oxo-3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidin-1-yl]propyl]carbamate
CID 108919631
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide (CID 108553085) is N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The InChIKey is KKVFRUVRTVPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-5-6-20-7-13-24(14-8-20)32-19-25(30)28-23-15-17-29(18-16-23)26(31)21-9-11-22(12-10-21)27(2,3)4/h7-14,23H,5-6,15-19H2,1-4H3,(H,28,30).
What are the key properties of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide?
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide has a molecular weight of 436.60 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 108553085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).