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

C21H27N3O3 — CID 8945118

IUPACN-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(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)
InChIKeyNURVISPNLOEIBQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.75
Rot. Bonds7

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

N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 8945118) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID8945118
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(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)
InChIKeyNURVISPNLOEIBQ-UHFFFAOYSA-N
XLogP1.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8945117
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-(3-methoxypropyl)-2-[4-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperazin-1-yl]acetamide
CID 55428456
2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428478

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide (CID 8945118) is N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is NURVISPNLOEIBQ-UHFFFAOYSA-N. 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).
What are the key properties of N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8945118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).