4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide

C24H32N4O2 — CID 18173612

IUPAC4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)CCNC(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O2/c1-18-2-6-20(7-3-18)23(29)11-15-26-24(30)28-16-12-22(13-17-28)27-21-8-4-19(5-9-21)10-14-25/h2-9,22,27H,10-17,25H2,1H3,(H,26,30)
InChIKeyFIURGLDMTRIZNI-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.36
Rot. Bonds8

About 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide

4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 18173612) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide
PubChem CID18173612
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)CCNC(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O2/c1-18-2-6-20(7-3-18)23(29)11-15-26-24(30)28-16-12-22(13-17-28)27-21-8-4-19(5-9-21)10-14-25/h2-9,22,27H,10-17,25H2,1H3,(H,26,30)
InChIKeyFIURGLDMTRIZNI-UHFFFAOYSA-N
XLogP3.36
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 18173951
4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide
CID 10166934
ethyl 4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]piperazine-1-carboxylate
CID 108874727
N-[3-(4-methylphenyl)-3-oxopropyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108874776
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684
[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 18173956
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
CID 108874685
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide (CID 18173612) is 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide is Cc1ccc(C(=O)CCNC(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is FIURGLDMTRIZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-2-6-20(7-3-18)23(29)11-15-26-24(30)28-16-12-22(13-17-28)27-21-8-4-19(5-9-21)10-14-25/h2-9,22,27H,10-17,25H2,1H3,(H,26,30).
What are the key properties of 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide?
4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 18173612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).