N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide

C28H38N4O2 — CID 84567171

IUPACN-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NC2CCN(Cc3ccccc3)CC2)C2CC2)c1
InChIInChI=1S/C28H38N4O2/c1-21-8-9-22(2)26(18-21)30-28(34)20-32(25-10-11-25)17-14-27(33)29-24-12-15-31(16-13-24)19-23-6-4-3-5-7-23/h3-9,18,24-25H,10-17,19-20H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyXIVSQAKFHPIZSF-UHFFFAOYSA-N
MW462.64 g/mol
LogP3.88
Rot. Bonds10

About N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide

N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84567171) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
PubChem CID84567171
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NC2CCN(Cc3ccccc3)CC2)C2CC2)c1
InChIInChI=1S/C28H38N4O2/c1-21-8-9-22(2)26(18-21)30-28(34)20-32(25-10-11-25)17-14-27(33)29-24-12-15-31(16-13-24)19-23-6-4-3-5-7-23/h3-9,18,24-25H,10-17,19-20H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyXIVSQAKFHPIZSF-UHFFFAOYSA-N
XLogP3.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
CID 84562482
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide
CID 84566540
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84567171) is N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)NC2CCN(Cc3ccccc3)CC2)C2CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is XIVSQAKFHPIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-21-8-9-22(2)26(18-21)30-28(34)20-32(25-10-11-25)17-14-27(33)29-24-12-15-31(16-13-24)19-23-6-4-3-5-7-23/h3-9,18,24-25H,10-17,19-20H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 462.64 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 84567171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).