N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C18H30N4O — CID 109031383

IUPACN-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N4O/c1-18(2,3)20-17(23)9-10-19-15-5-7-16(8-6-15)22-13-11-21(4)12-14-22/h5-8,19H,9-14H2,1-4H3,(H,20,23)
InChIKeyBXFSTBMYIORGDS-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.16
Rot. Bonds5

About N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109031383) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109031383
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N4O/c1-18(2,3)20-17(23)9-10-19-15-5-7-16(8-6-15)22-13-11-21(4)12-14-22/h5-8,19H,9-14H2,1-4H3,(H,20,23)
InChIKeyBXFSTBMYIORGDS-UHFFFAOYSA-N
XLogP2.16
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
N-(1,1-dioxothiolan-3-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109026393

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109031383) is N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is CN1CCN(c2ccc(NCCC(=O)NC(C)(C)C)cc2)CC1.
What is the InChIKey of N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is BXFSTBMYIORGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-18(2,3)20-17(23)9-10-19-15-5-7-16(8-6-15)22-13-11-21(4)12-14-22/h5-8,19H,9-14H2,1-4H3,(H,20,23).
What are the key properties of N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109031383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).