N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C24H25N5O — CID 24793921

IUPACN-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C24H25N5O/c30-24(18-6-2-1-3-7-18)27-23-10-13-26-29(23)20-11-14-28(15-12-20)17-19-16-25-22-9-5-4-8-21(19)22/h1-10,13,16,20,25H,11-12,14-15,17H2,(H,27,30)
InChIKeyRNQCLGPFXJQOIS-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.45
Rot. Bonds5

About N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793921) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793921
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C24H25N5O/c30-24(18-6-2-1-3-7-18)27-23-10-13-26-29(23)20-11-14-28(15-12-20)17-19-16-25-22-9-5-4-8-21(19)22/h1-10,13,16,20,25H,11-12,14-15,17H2,(H,27,30)
InChIKeyRNQCLGPFXJQOIS-UHFFFAOYSA-N
XLogP4.45
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793921) is N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is RNQCLGPFXJQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(18-6-2-1-3-7-18)27-23-10-13-26-29(23)20-11-14-28(15-12-20)17-19-16-25-22-9-5-4-8-21(19)22/h1-10,13,16,20,25H,11-12,14-15,17H2,(H,27,30).
What are the key properties of N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 399.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).