N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide

C25H34N4O — CID 156786567

IUPACN-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ccccc2CN2CCNCC2)CC1
InChIInChI=1S/C25H34N4O/c1-2-25(30)29(22-9-4-3-5-10-22)23-12-16-28(17-13-23)24-11-7-6-8-21(24)20-27-18-14-26-15-19-27/h3-11,23,26H,2,12-20H2,1H3
InChIKeySGOZPXPQOYLORE-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.50
Rot. Bonds6

About N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide

N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide (PubChem CID 156786567) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
PubChem CID156786567
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ccccc2CN2CCNCC2)CC1
InChIInChI=1S/C25H34N4O/c1-2-25(30)29(22-9-4-3-5-10-22)23-12-16-28(17-13-23)24-11-7-6-8-21(24)20-27-18-14-26-15-19-27/h3-11,23,26H,2,12-20H2,1H3
InChIKeySGOZPXPQOYLORE-UHFFFAOYSA-N
XLogP3.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 175151627
4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 156786553
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 90349844
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
N-(2-methylpiperidin-4-yl)-N-phenylpropanamide
CID 155269375

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide (CID 156786567) is N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1CCN(c2ccccc2CN2CCNCC2)CC1.
What is the InChIKey of N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide?
The InChIKey is SGOZPXPQOYLORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-2-25(30)29(22-9-4-3-5-10-22)23-12-16-28(17-13-23)24-11-7-6-8-21(24)20-27-18-14-26-15-19-27/h3-11,23,26H,2,12-20H2,1H3.
What are the key properties of N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide?
N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide has a molecular weight of 406.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 156786567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).