N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide

C19H26N4O — CID 110244369

IUPACN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)Cn3cccn3)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-15-8-12-22(13-9-15)18-6-4-17(5-7-18)16(2)21-19(24)14-23-11-3-10-20-23/h3-7,10-11,15-16H,8-9,12-14H2,1-2H3,(H,21,24)
InChIKeyFDGQSAJWVJFIPS-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.00
Rot. Bonds5

About N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 110244369) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID110244369
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)Cn3cccn3)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-15-8-12-22(13-9-15)18-6-4-17(5-7-18)16(2)21-19(24)14-23-11-3-10-20-23/h3-7,10-11,15-16H,8-9,12-14H2,1-2H3,(H,21,24)
InChIKeyFDGQSAJWVJFIPS-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 93242311
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217444
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 132661788
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43897921
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43898524
2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 133187413
1-benzyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013631
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide (CID 110244369) is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide is CC1CCN(c2ccc(C(C)NC(=O)Cn3cccn3)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is FDGQSAJWVJFIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-8-12-22(13-9-15)18-6-4-17(5-7-18)16(2)21-19(24)14-23-11-3-10-20-23/h3-7,10-11,15-16H,8-9,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide?
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 326.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 110244369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).