N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C25H29ClN4O — CID 24790157

IUPACN-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31)
InChIKeyVZVSNQFZTIYLDI-UHFFFAOYSA-N
MW436.99 g/mol
LogP5.34
Rot. Bonds8

About N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790157) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790157
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC NameN-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31)
InChIKeyVZVSNQFZTIYLDI-UHFFFAOYSA-N
XLogP5.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24790157) is N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is VZVSNQFZTIYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31).
What are the key properties of N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 436.99 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).