N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide

C28H30N2O4 — CID 112804050

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-2-33-25-13-11-22(12-14-25)28(32)30-17-15-24(16-18-30)29-27(31)23-9-6-10-26(19-23)34-20-21-7-4-3-5-8-21/h3-14,19,24H,2,15-18,20H2,1H3,(H,29,31)
InChIKeyZMZNWDWSFGDJGQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.70
Rot. Bonds8

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide (PubChem CID 112804050) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
PubChem CID112804050
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-2-33-25-13-11-22(12-14-25)28(32)30-17-15-24(16-18-30)29-27(31)23-9-6-10-26(19-23)34-20-21-7-4-3-5-8-21/h3-14,19,24H,2,15-18,20H2,1H3,(H,29,31)
InChIKeyZMZNWDWSFGDJGQ-UHFFFAOYSA-N
XLogP4.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 17483579
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
CID 55777615

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide (CID 112804050) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide?
The InChIKey is ZMZNWDWSFGDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-2-33-25-13-11-22(12-14-25)28(32)30-17-15-24(16-18-30)29-27(31)23-9-6-10-26(19-23)34-20-21-7-4-3-5-8-21/h3-14,19,24H,2,15-18,20H2,1H3,(H,29,31).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide has a molecular weight of 458.56 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 112804050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).