N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide

C26H28N3O2+ — CID 9337376

IUPACN-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2/c1-20(30)27-24-14-8-13-23(19-24)26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,30)/p+1
InChIKeyHFGMQAMRSHSMPK-UHFFFAOYSA-O
MW414.53 g/mol
LogP2.78
Rot. Bonds5

About N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide

N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide (PubChem CID 9337376) has the molecular formula C26H28N3O2+ and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
PubChem CID9337376
Molecular FormulaC26H28N3O2+
Molecular Weight414.53 g/mol
Exact Mass414.22
IUPAC NameN-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2/c1-20(30)27-24-14-8-13-23(19-24)26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,30)/p+1
InChIKeyHFGMQAMRSHSMPK-UHFFFAOYSA-O
XLogP2.78
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzhydrylpiperazin-4-ium-1-yl)-(3-chlorophenyl)methanone chloride
CID 43834597
(4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)phenyl]methanone
CID 9041223
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
(4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041253
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
CID 8904387
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021512

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide (CID 9337376) is N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
The InChIKey is HFGMQAMRSHSMPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H27N3O2/c1-20(30)27-24-14-8-13-23(19-24)26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,30)/p+1.
What are the key properties of N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 9337376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).