N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide

C24H32ClN3O3 — CID 71214805

IUPACN-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(O)cc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H32ClN3O3/c1-2-24(30)27-22-9-8-21(29)16-23(22)31-15-3-12-26-20-10-13-28(14-11-20)17-18-4-6-19(25)7-5-18/h4-9,16,20,26,29H,2-3,10-15,17H2,1H3,(H,27,30)
InChIKeyLAUKAMUNVONHMJ-UHFFFAOYSA-N
MW445.99 g/mol
LogP4.42
Rot. Bonds10

About N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide

N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide (PubChem CID 71214805) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide
PubChem CID71214805
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC NameN-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(O)cc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H32ClN3O3/c1-2-24(30)27-22-9-8-21(29)16-23(22)31-15-3-12-26-20-10-13-28(14-11-20)17-18-4-6-19(25)7-5-18/h4-9,16,20,26,29H,2-3,10-15,17H2,1H3,(H,27,30)
InChIKeyLAUKAMUNVONHMJ-UHFFFAOYSA-N
XLogP4.42
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide
CID 71213581
N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]-4-hydroxyphenyl]propanamide
CID 59778397
benzoic acid;N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]-4-hydroxyphenyl]acetamide
CID 15940251
N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 67120191
N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]-4-hydroxyphenyl]acetamide;furan-2-carboxylic acid
CID 15940252
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[2-[(2R)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25116462
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide
CID 10138511
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?
The IUPAC name of N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide (CID 71214805) is N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide.
What is the SMILES notation for N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?
The canonical SMILES for N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide is CCC(=O)Nc1ccc(O)cc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?
The InChIKey is LAUKAMUNVONHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-2-24(30)27-22-9-8-21(29)16-23(22)31-15-3-12-26-20-10-13-28(14-11-20)17-18-4-6-19(25)7-5-18/h4-9,16,20,26,29H,2-3,10-15,17H2,1H3,(H,27,30).
What are the key properties of N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide?
N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide has a molecular weight of 445.99 g/mol, XLogP of 4.42, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]propoxy]-4-hydroxyphenyl]propanamide is sourced from PubChem (CID 71214805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).