4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide

C19H25N5O2 — CID 135099789

IUPAC4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCC(CCn3cccn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c20-19(26)16-2-4-17(5-3-16)22-18(25)14-23-11-6-15(7-12-23)8-13-24-10-1-9-21-24/h1-5,9-10,15H,6-8,11-14H2,(H2,20,26)(H,22,25)
InChIKeyIGPKDQWOHZCOFM-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.72
Rot. Bonds7

About 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide (PubChem CID 135099789) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
PubChem CID135099789
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCC(CCn3cccn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c20-19(26)16-2-4-17(5-3-16)22-18(25)14-23-11-6-15(7-12-23)8-13-24-10-1-9-21-24/h1-5,9-10,15H,6-8,11-14H2,(H2,20,26)(H,22,25)
InChIKeyIGPKDQWOHZCOFM-UHFFFAOYSA-N
XLogP1.72
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]benzamide
CID 11940672
N-(3-chloro-4-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495307
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125172810
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618914
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide (CID 135099789) is 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CCC(CCn3cccn3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide?
The InChIKey is IGPKDQWOHZCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-19(26)16-2-4-17(5-3-16)22-18(25)14-23-11-6-15(7-12-23)8-13-24-10-1-9-21-24/h1-5,9-10,15H,6-8,11-14H2,(H2,20,26)(H,22,25).
What are the key properties of 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 135099789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).