N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide

C19H29N4O4+ — CID 7231878

IUPACN-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCOc1ccc(C(=O)N2CC[NH+](CCNC(=O)C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C19H28N4O4/c1-14(2)21-18(25)17(24)20-8-9-22-10-12-23(13-11-22)19(26)15-4-6-16(27-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,20,24)(H,21,25)/p+1
InChIKeyPLNZMHQRJRCYMB-UHFFFAOYSA-O
MW377.47 g/mol
LogP-1.32
Rot. Bonds6

About N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide

N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide (PubChem CID 7231878) has the molecular formula C19H29N4O4+ and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide
PubChem CID7231878
Molecular FormulaC19H29N4O4+
Molecular Weight377.47 g/mol
Exact Mass377.22
IUPAC NameN-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCOc1ccc(C(=O)N2CC[NH+](CCNC(=O)C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C19H28N4O4/c1-14(2)21-18(25)17(24)20-8-9-22-10-12-23(13-11-22)19(26)15-4-6-16(27-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,20,24)(H,21,25)/p+1
InChIKeyPLNZMHQRJRCYMB-UHFFFAOYSA-O
XLogP-1.32
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
CID 9268265
N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7405790
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744235
[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone
CID 4754515
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
CID 6988242
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone chloride
CID 43834277
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide (CID 7231878) is N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide is COc1ccc(C(=O)N2CC[NH+](CCNC(=O)C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide?
The InChIKey is PLNZMHQRJRCYMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O4/c1-14(2)21-18(25)17(24)20-8-9-22-10-12-23(13-11-22)19(26)15-4-6-16(27-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,20,24)(H,21,25)/p+1.
What are the key properties of N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide?
N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide has a molecular weight of 377.47 g/mol, XLogP of -1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 7231878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).