1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C24H39N3O2 — CID 78898918

IUPAC1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCc1ccc(C(NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C(C)C)cc1
InChIInChI=1S/C24H39N3O2/c1-7-19-8-10-20(11-9-19)23(17(2)3)25-16-22(28)27-14-12-21(13-15-27)24(29)26(6)18(4)5/h8-11,17-18,21,23,25H,7,12-16H2,1-6H3
InChIKeyVHHOMWOLODARBZ-UHFFFAOYSA-N
MW401.60 g/mol
LogP3.64
Rot. Bonds8

About 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 78898918) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID78898918
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCc1ccc(C(NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C(C)C)cc1
InChIInChI=1S/C24H39N3O2/c1-7-19-8-10-20(11-9-19)23(17(2)3)25-16-22(28)27-14-12-21(13-15-27)24(29)26(6)18(4)5/h8-11,17-18,21,23,25H,7,12-16H2,1-6H3
InChIKeyVHHOMWOLODARBZ-UHFFFAOYSA-N
XLogP3.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8992613
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 84514231
1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
CID 112796946
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 18150327
1-(4-ethylphenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62654329
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
1-[2-[(2,2-dimethylcyclopentyl)amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 131963897
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 55949891

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 78898918) is 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CCc1ccc(C(NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C(C)C)cc1.
What is the InChIKey of 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VHHOMWOLODARBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-7-19-8-10-20(11-9-19)23(17(2)3)25-16-22(28)27-14-12-21(13-15-27)24(29)26(6)18(4)5/h8-11,17-18,21,23,25H,7,12-16H2,1-6H3.
What are the key properties of 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 401.60 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 78898918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).