N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide

C19H26N4O2 — CID 111429668

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCCCN1CCC(O)CC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c24-18-7-13-22(14-8-18)11-1-9-20-19(25)17-5-3-16(4-6-17)15-23-12-2-10-21-23/h2-6,10,12,18,24H,1,7-9,11,13-15H2,(H,20,25)
InChIKeyVYLAKSZWVVLXKK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.51
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 111429668) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID111429668
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCCCN1CCC(O)CC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c24-18-7-13-22(14-8-18)11-1-9-20-19(25)17-5-3-16(4-6-17)15-23-12-2-10-21-23/h2-6,10,12,18,24H,1,7-9,11,13-15H2,(H,20,25)
InChIKeyVYLAKSZWVVLXKK-UHFFFAOYSA-N
XLogP1.51
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
N-(1,1-dioxothiolan-3-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18137645
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 111429668) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide is O=C(NCCCN1CCC(O)CC1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is VYLAKSZWVVLXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-7-13-22(14-8-18)11-1-9-20-19(25)17-5-3-16(4-6-17)15-23-12-2-10-21-23/h2-6,10,12,18,24H,1,7-9,11,13-15H2,(H,20,25).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 111429668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).