N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide

C24H31N3O3 — CID 27741719

IUPACN-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-2-3-13-25-23(28)18-26-14-16-27(17-15-26)24(29)21-9-11-22(12-10-21)30-19-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,25,28)
InChIKeyHVAIRTDZBRKVAJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.94
Rot. Bonds9

About N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 27741719) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID27741719
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-2-3-13-25-23(28)18-26-14-16-27(17-15-26)24(29)21-9-11-22(12-10-21)30-19-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,25,28)
InChIKeyHVAIRTDZBRKVAJ-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.94
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

2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide (CID 27741719) is N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is HVAIRTDZBRKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-3-13-25-23(28)18-26-14-16-27(17-15-26)24(29)21-9-11-22(12-10-21)30-19-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,25,28).
What are the key properties of N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27741719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).