N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C19H23N5O2 — CID 120755361

IUPACN-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H23N5O2/c25-18(23-19(26)22-11-15-5-2-1-3-6-15)14-24-10-9-21-13-17(24)16-7-4-8-20-12-16/h1-8,12,17,21H,9-11,13-14H2,(H2,22,23,25,26)
InChIKeyANSXQMBDPLHSKL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.05
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755361) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755361
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H23N5O2/c25-18(23-19(26)22-11-15-5-2-1-3-6-15)14-24-10-9-21-13-17(24)16-7-4-8-20-12-16/h1-8,12,17,21H,9-11,13-14H2,(H2,22,23,25,26)
InChIKeyANSXQMBDPLHSKL-UHFFFAOYSA-N
XLogP1.05
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755961
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755646
N-[(4-phenyloxan-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755783
N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755899

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755361) is N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is O=C(CN1CCNCC1c1cccnc1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is ANSXQMBDPLHSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(23-19(26)22-11-15-5-2-1-3-6-15)14-24-10-9-21-13-17(24)16-7-4-8-20-12-16/h1-8,12,17,21H,9-11,13-14H2,(H2,22,23,25,26).
What are the key properties of N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).