N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

C24H32N4O3 — CID 55470639

IUPACN-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(C(C)C(=O)NC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-31-22-11-9-21(10-12-22)18-27-13-15-28(16-14-27)19(2)23(29)26-24(30)25-17-20-7-5-4-6-8-20/h4-12,19H,3,13-18H2,1-2H3,(H2,25,26,29,30)
InChIKeyVBMIZALPZPZYQS-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.62
Rot. Bonds8

About N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55470639) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55470639
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(C(C)C(=O)NC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-31-22-11-9-21(10-12-22)18-27-13-15-28(16-14-27)19(2)23(29)26-24(30)25-17-20-7-5-4-6-8-20/h4-12,19H,3,13-18H2,1-2H3,(H2,25,26,29,30)
InChIKeyVBMIZALPZPZYQS-UHFFFAOYSA-N
XLogP2.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9258253
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 55470639) is N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is CCOc1ccc(CN2CCN(C(C)C(=O)NC(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is VBMIZALPZPZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-31-22-11-9-21(10-12-22)18-27-13-15-28(16-14-27)19(2)23(29)26-24(30)25-17-20-7-5-4-6-8-20/h4-12,19H,3,13-18H2,1-2H3,(H2,25,26,29,30).
What are the key properties of N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55470639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).