N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

C27H32FN5O — CID 42431836

IUPACN-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NCc3cn[nH]c3-c3ccc(F)cc3)CC2)cc1)C1CCCC1
InChIInChI=1S/C27H32FN5O/c28-22-7-5-19(6-8-22)26-21(18-30-32-26)17-29-23-13-15-33(16-14-23)25-11-9-24(10-12-25)31-27(34)20-3-1-2-4-20/h5-12,18,20,23,29H,1-4,13-17H2,(H,30,32)(H,31,34)
InChIKeyOUFIDAOPKMZWMZ-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.10
Rot. Bonds7

About N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 42431836) has the molecular formula C27H32FN5O and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID42431836
Molecular FormulaC27H32FN5O
Molecular Weight461.59 g/mol
Exact Mass461.26
IUPAC NameN-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NCc3cn[nH]c3-c3ccc(F)cc3)CC2)cc1)C1CCCC1
InChIInChI=1S/C27H32FN5O/c28-22-7-5-19(6-8-22)26-21(18-30-32-26)17-29-23-13-15-33(16-14-23)25-11-9-24(10-12-25)31-27(34)20-3-1-2-4-20/h5-12,18,20,23,29H,1-4,13-17H2,(H,30,32)(H,31,34)
InChIKeyOUFIDAOPKMZWMZ-UHFFFAOYSA-N
XLogP5.10
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42210836
4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509868
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24682859
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094730
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 56827879
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
CID 47621541
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 28666705
N-[4-[4-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45233500

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (CID 42431836) is N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCC(NCc3cn[nH]c3-c3ccc(F)cc3)CC2)cc1)C1CCCC1.
What is the InChIKey of N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is OUFIDAOPKMZWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O/c28-22-7-5-19(6-8-22)26-21(18-30-32-26)17-29-23-13-15-33(16-14-23)25-11-9-24(10-12-25)31-27(34)20-3-1-2-4-20/h5-12,18,20,23,29H,1-4,13-17H2,(H,30,32)(H,31,34).
What are the key properties of N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 461.59 g/mol, XLogP of 5.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 42431836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).