N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide

C23H26N4O — CID 72838818

IUPACN-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C23H26N4O/c28-23(20-10-8-19(9-11-20)22-12-13-25-26-22)24-14-16-27-15-4-7-21(17-27)18-5-2-1-3-6-18/h1-3,5-6,8-13,21H,4,7,14-17H2,(H,24,28)(H,25,26)
InChIKeyKSLGWTAZBFQDQC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide

N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 72838818) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID72838818
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C23H26N4O/c28-23(20-10-8-19(9-11-20)22-12-13-25-26-22)24-14-16-27-15-4-7-21(17-27)18-5-2-1-3-6-18/h1-3,5-6,8-13,21H,4,7,14-17H2,(H,24,28)(H,25,26)
InChIKeyKSLGWTAZBFQDQC-UHFFFAOYSA-N
XLogP3.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide (CID 72838818) is N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide is O=C(NCCN1CCCC(c2ccccc2)C1)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is KSLGWTAZBFQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(20-10-8-19(9-11-20)22-12-13-25-26-22)24-14-16-27-15-4-7-21(17-27)18-5-2-1-3-6-18/h1-3,5-6,8-13,21H,4,7,14-17H2,(H,24,28)(H,25,26).
What are the key properties of N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpiperidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 72838818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).