N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide

C18H26BrN4O2+ — CID 6958762

IUPACN-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H25BrN4O2/c19-15-4-6-16(7-5-15)20-17(24)14-21-10-12-23(13-11-21)18(25)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H,20,24)/p+1
InChIKeyVUDKLIDJSLECIY-UHFFFAOYSA-O
MW410.34 g/mol
LogP1.19
Rot. Bonds3

About N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 6958762) has the molecular formula C18H26BrN4O2+ and a molecular weight of 410.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID6958762
Molecular FormulaC18H26BrN4O2+
Molecular Weight410.34 g/mol
Exact Mass409.12
IUPAC NameN-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H25BrN4O2/c19-15-4-6-16(7-5-15)20-17(24)14-21-10-12-23(13-11-21)18(25)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H,20,24)/p+1
InChIKeyVUDKLIDJSLECIY-UHFFFAOYSA-O
XLogP1.19
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 3494423
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022112
(2S)-N-(4-bromophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8774303
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 8904245
N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653629
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8904321
ethyl 4-[3-(4-bromoanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 4755792
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 6958762) is N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is VUDKLIDJSLECIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25BrN4O2/c19-15-4-6-16(7-5-15)20-17(24)14-21-10-12-23(13-11-21)18(25)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H,20,24)/p+1.
What are the key properties of N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 410.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 6958762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).