3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide

C23H27BrN2O3 — CID 112838965

IUPAC3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3Br)CC2)cc1
InChIInChI=1S/C23H27BrN2O3/c1-2-29-20-10-7-18(8-11-20)23(28)26-15-13-19(14-16-26)25-22(27)12-9-17-5-3-4-6-21(17)24/h3-8,10-11,19H,2,9,12-16H2,1H3,(H,25,27)
InChIKeyIGFHHPATROQRHN-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.20
Rot. Bonds7

About 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide

3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 112838965) has the molecular formula C23H27BrN2O3 and a molecular weight of 459.38 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID112838965
Molecular FormulaC23H27BrN2O3
Molecular Weight459.38 g/mol
Exact Mass458.12
IUPAC Name3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3Br)CC2)cc1
InChIInChI=1S/C23H27BrN2O3/c1-2-29-20-10-7-18(8-11-20)23(28)26-15-13-19(14-16-26)25-22(27)12-9-17-5-3-4-6-21(17)24/h3-8,10-11,19H,2,9,12-16H2,1H3,(H,25,27)
InChIKeyIGFHHPATROQRHN-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930449
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide
CID 112804098
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 112834506
[4-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930454
4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 38022224
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 112804072

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide (CID 112838965) is 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3Br)CC2)cc1.
What is the InChIKey of 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is IGFHHPATROQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O3/c1-2-29-20-10-7-18(8-11-20)23(28)26-15-13-19(14-16-26)25-22(27)12-9-17-5-3-4-6-21(17)24/h3-8,10-11,19H,2,9,12-16H2,1H3,(H,25,27).
What are the key properties of 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 459.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 112838965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).