N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide

C19H26N4O2 — CID 71916687

IUPACN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C19H26N4O2/c24-15-16-5-10-22(11-6-16)14-17-3-1-4-18(13-17)21-19(25)7-12-23-9-2-8-20-23/h1-4,8-9,13,16,24H,5-7,10-12,14-15H2,(H,21,25)
InChIKeyCSWGVVHLQBXGPU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide (PubChem CID 71916687) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
PubChem CID71916687
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C19H26N4O2/c24-15-16-5-10-22(11-6-16)14-17-3-1-4-18(13-17)21-19(25)7-12-23-9-2-8-20-23/h1-4,8-9,13,16,24H,5-7,10-12,14-15H2,(H,21,25)
InChIKeyCSWGVVHLQBXGPU-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 110921212
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 84588040
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide (CID 71916687) is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1cccc(CN2CCC(CO)CC2)c1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is CSWGVVHLQBXGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-15-16-5-10-22(11-6-16)14-17-3-1-4-18(13-17)21-19(25)7-12-23-9-2-8-20-23/h1-4,8-9,13,16,24H,5-7,10-12,14-15H2,(H,21,25).
What are the key properties of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide?
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 71916687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).