N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride

C26H30ClN3O2 — CID 170337608

IUPACN-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1CCC(=O)N1CCNCC1)c1cccc2ccccc12.Cl
InChIInChI=1S/C26H29N3O2.ClH/c1-19(22-12-6-9-20-7-2-4-10-23(20)22)28-26(31)24-11-5-3-8-21(24)13-14-25(30)29-17-15-27-16-18-29;/h2-12,19,27H,13-18H2,1H3,(H,28,31);1H
InChIKeyWLRZDJKMWSXPRY-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.12
Rot. Bonds6

About N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride

N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 170337608) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID170337608
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC NameN-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1CCC(=O)N1CCNCC1)c1cccc2ccccc12.Cl
InChIInChI=1S/C26H29N3O2.ClH/c1-19(22-12-6-9-20-7-2-4-10-23(20)22)28-26(31)24-11-5-3-8-21(24)13-14-25(30)29-17-15-27-16-18-29;/h2-12,19,27H,13-18H2,1H3,(H,28,31);1H
InChIKeyWLRZDJKMWSXPRY-UHFFFAOYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[4-[3-[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]propanoyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 170337684
N-(1-naphthalen-1-ylethyl)-2-[3-oxo-3-(4-prop-2-enoylpiperazin-1-yl)propyl]benzamide;prop-2-enoyl chloride
CID 170337735
2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
CID 170337610
3-[3-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]propanoylamino]azetidine-1-carboxylic acid
CID 170337641
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-enoylhydrazinyl)propyl]benzamide
CID 170337643
methyl 4-[2-[3-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]propanoyl]hydrazinyl]-4-oxobut-2-enoate
CID 172875329
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
3-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-phenoxyphenyl]propanoic acid
CID 23017411

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 170337608) is N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride is CC(NC(=O)c1ccccc1CCC(=O)N1CCNCC1)c1cccc2ccccc12.Cl.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is WLRZDJKMWSXPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2.ClH/c1-19(22-12-6-9-20-7-2-4-10-23(20)22)28-26(31)24-11-5-3-8-21(24)13-14-25(30)29-17-15-27-16-18-29;/h2-12,19,27H,13-18H2,1H3,(H,28,31);1H.
What are the key properties of N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 452.00 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 170337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).