N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide

C21H28N3O3+ — CID 8945117

IUPACN-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCOCCCNC(=O)C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27N3O3/c1-27-14-4-9-22-20(25)16-23-10-12-24(13-11-23)21(26)19-8-7-17-5-2-3-6-18(17)15-19/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,22,25)/p+1
InChIKeyNURVISPNLOEIBQ-UHFFFAOYSA-O
MW370.47 g/mol
LogP0.33
Rot. Bonds7

About N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8945117) has the molecular formula C21H28N3O3+ and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8945117
Molecular FormulaC21H28N3O3+
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCOCCCNC(=O)C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27N3O3/c1-27-14-4-9-22-20(25)16-23-10-12-24(13-11-23)21(26)19-8-7-17-5-2-3-6-18(17)15-19/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,22,25)/p+1
InChIKeyNURVISPNLOEIBQ-UHFFFAOYSA-O
XLogP0.33
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-(2-methoxyethyl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]acetamide
CID 8541523
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
N-(3-methoxypropyl)-2-[4-(4-naphthalen-2-yl-4-oxobutanoyl)piperazin-1-yl]acetamide
CID 8945176
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]ethanone
CID 9246951
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9223601
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 9276329
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
methyl 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylbenzoate
CID 9223118
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9223403
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 8945117) is N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide is COCCCNC(=O)C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is NURVISPNLOEIBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O3/c1-27-14-4-9-22-20(25)16-23-10-12-24(13-11-23)21(26)19-8-7-17-5-2-3-6-18(17)15-19/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,22,25)/p+1.
What are the key properties of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8945117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).