2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide

C25H30ClN5O — CID 42429096

IUPAC2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCC(NCCCn3cccn3)CC2)cc1
InChIInChI=1S/C25H30ClN5O/c26-21-5-1-4-20(18-21)19-25(32)29-23-6-8-24(9-7-23)30-16-10-22(11-17-30)27-12-2-14-31-15-3-13-28-31/h1,3-9,13,15,18,22,27H,2,10-12,14,16-17,19H2,(H,29,32)
InChIKeyWYQNQRPUVBSXLW-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.37
Rot. Bonds9

About 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide

2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide (PubChem CID 42429096) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
PubChem CID42429096
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC Name2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCC(NCCCn3cccn3)CC2)cc1
InChIInChI=1S/C25H30ClN5O/c26-21-5-1-4-20(18-21)19-25(32)29-23-6-8-24(9-7-23)30-16-10-22(11-17-30)27-12-2-14-31-15-3-13-28-31/h1,3-9,13,15,18,22,27H,2,10-12,14,16-17,19H2,(H,29,32)
InChIKeyWYQNQRPUVBSXLW-UHFFFAOYSA-N
XLogP4.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42165920
3-chloro-N-[4-[4-[3-(2-oxopyrrolidin-1-yl)propylamino]piperidin-1-yl]phenyl]benzamide
CID 42437735
N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 26344393
N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42210836
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109463105
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 125158880
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide (CID 42429096) is 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide is O=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCC(NCCCn3cccn3)CC2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The InChIKey is WYQNQRPUVBSXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O/c26-21-5-1-4-20(18-21)19-25(32)29-23-6-8-24(9-7-23)30-16-10-22(11-17-30)27-12-2-14-31-15-3-13-28-31/h1,3-9,13,15,18,22,27H,2,10-12,14,16-17,19H2,(H,29,32).
What are the key properties of 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide has a molecular weight of 452.00 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 42429096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).