N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide

C26H34N2O4 — CID 108550337

IUPACN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)c1
InChIInChI=1S/C26H34N2O4/c1-18-9-10-23(22(15-18)26(2,3)4)32-17-24(29)28-13-11-20(12-14-28)27-25(30)19-7-6-8-21(16-19)31-5/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,27,30)
InChIKeySPGYJTMFQVUJFG-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.10
Rot. Bonds6

About N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 108550337) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID108550337
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)c1
InChIInChI=1S/C26H34N2O4/c1-18-9-10-23(22(15-18)26(2,3)4)32-17-24(29)28-13-11-20(12-14-28)27-25(30)19-7-6-8-21(16-19)31-5/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,27,30)
InChIKeySPGYJTMFQVUJFG-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558293
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549411
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108564979
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide (CID 108550337) is N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)c1.
What is the InChIKey of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is SPGYJTMFQVUJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18-9-10-23(22(15-18)26(2,3)4)32-17-24(29)28-13-11-20(12-14-28)27-25(30)19-7-6-8-21(16-19)31-5/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,27,30).
What are the key properties of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 438.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 108550337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).