N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide

C24H35N3O4 — CID 55389748

IUPACN-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C24H35N3O4/c1-2-3-4-17-31-21-9-5-19(6-10-21)22(28)11-12-24(30)27-15-13-26(14-16-27)18-23(29)25-20-7-8-20/h5-6,9-10,20H,2-4,7-8,11-18H2,1H3,(H,25,29)
InChIKeyLAWXIXGZWTVZNA-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.64
Rot. Bonds12

About N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide (PubChem CID 55389748) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
PubChem CID55389748
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C24H35N3O4/c1-2-3-4-17-31-21-9-5-19(6-10-21)22(28)11-12-24(30)27-15-13-26(14-16-27)18-23(29)25-20-7-8-20/h5-6,9-10,20H,2-4,7-8,11-18H2,1H3,(H,25,29)
InChIKeyLAWXIXGZWTVZNA-UHFFFAOYSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47022937
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55851103
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 49074485
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide (CID 55389748) is N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide is CCCCCOc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide?
The InChIKey is LAWXIXGZWTVZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-2-3-4-17-31-21-9-5-19(6-10-21)22(28)11-12-24(30)27-15-13-26(14-16-27)18-23(29)25-20-7-8-20/h5-6,9-10,20H,2-4,7-8,11-18H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide has a molecular weight of 429.56 g/mol, XLogP of 2.64, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55389748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).