N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C19H24ClN5O3 — CID 120755324

IUPACN-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C19H23N5O3.ClH/c1-27-16-6-4-15(5-7-16)22-19(26)23-18(25)13-24-10-9-21-12-17(24)14-3-2-8-20-11-14;/h2-8,11,17,21H,9-10,12-13H2,1H3,(H2,22,23,25,26);1H
InChIKeyZCLUSCXGIFRBRK-UHFFFAOYSA-N
MW405.89 g/mol
LogP1.81
Rot. Bonds5

About N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755324) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755324
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC NameN-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C19H23N5O3.ClH/c1-27-16-6-4-15(5-7-16)22-19(26)23-18(25)13-24-10-9-21-12-17(24)14-3-2-8-20-11-14;/h2-8,11,17,21H,9-10,12-13H2,1H3,(H2,22,23,25,26);1H
InChIKeyZCLUSCXGIFRBRK-UHFFFAOYSA-N
XLogP1.81
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754631
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-[2-(2-methoxyphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754400
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755324) is N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is COc1ccc(NC(=O)NC(=O)CN2CCNCC2c2cccnc2)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is ZCLUSCXGIFRBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.ClH/c1-27-16-6-4-15(5-7-16)22-19(26)23-18(25)13-24-10-9-21-12-17(24)14-3-2-8-20-11-14;/h2-8,11,17,21H,9-10,12-13H2,1H3,(H2,22,23,25,26);1H.
What are the key properties of N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).