N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C26H31N5O2 — CID 24794340

IUPACN-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-20(32)28-23-10-7-22(8-11-23)19-30-17-14-24(15-18-30)31-25(13-16-27-31)29-26(33)12-9-21-5-3-2-4-6-21/h2-8,10-11,13,16,24H,9,12,14-15,17-19H2,1H3,(H,28,32)(H,29,33)
InChIKeyAEAOSFKVUDSNOZ-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.25
Rot. Bonds8

About N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24794340) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24794340
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-20(32)28-23-10-7-22(8-11-23)19-30-17-14-24(15-18-30)31-25(13-16-27-31)29-26(33)12-9-21-5-3-2-4-6-21/h2-8,10-11,13,16,24H,9,12,14-15,17-19H2,1H3,(H,28,32)(H,29,33)
InChIKeyAEAOSFKVUDSNOZ-UHFFFAOYSA-N
XLogP4.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
CID 135566411
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
18-[3-(Piperazine-1-carbonyl)anilino]-2,8,16,17,19,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one
CID 135907028
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869416
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-2-phenylacetamide
CID 135869428
1-[4-(dimethylamino)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869430
3-{3,5-Dimethyl-1-[6-(piperidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(4-ethylphenyl)propanamide
CID 20946905
N-(3-tert-Butyl-1-methyl-5-pyrazolyl)-N'-(4-(4-acetaminophenyl)methylphenyl)urea
CID 44286313

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24794340) is N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is AEAOSFKVUDSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-20(32)28-23-10-7-22(8-11-23)19-30-17-14-24(15-18-30)31-25(13-16-27-31)29-26(33)12-9-21-5-3-2-4-6-21/h2-8,10-11,13,16,24H,9,12,14-15,17-19H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 445.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24794340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).