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

C19H30N4O2 — CID 43020080

IUPACN-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-5-10-20-18(24)15-22-11-13-23(14-12-22)19(25)16-6-8-17(9-7-16)21(2)3/h6-9H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeyPSHQPVJUSKTUFT-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.43
Rot. Bonds7

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

N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide (PubChem CID 43020080) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
PubChem CID43020080
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-5-10-20-18(24)15-22-11-13-23(14-12-22)19(25)16-6-8-17(9-7-16)21(2)3/h6-9H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeyPSHQPVJUSKTUFT-UHFFFAOYSA-N
XLogP1.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.43
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-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide (CID 43020080) is N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is PSHQPVJUSKTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-5-10-20-18(24)15-22-11-13-23(14-12-22)19(25)16-6-8-17(9-7-16)21(2)3/h6-9H,4-5,10-15H2,1-3H3,(H,20,24).
What are the key properties of N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.43, 7 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-(dimethylamino)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43020080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).