N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C19H33N5O — CID 109016992

IUPACN-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN(C)CCCNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H33N5O/c1-22(2)12-4-10-21-19(25)9-11-20-17-5-7-18(8-6-17)24-15-13-23(3)14-16-24/h5-8,20H,4,9-16H2,1-3H3,(H,21,25)
InChIKeyAOXYCKFPAYQIEB-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.31
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109016992) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109016992
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN(C)CCCNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H33N5O/c1-22(2)12-4-10-21-19(25)9-11-20-17-5-7-18(8-6-17)24-15-13-23(3)14-16-24/h5-8,20H,4,9-16H2,1-3H3,(H,21,25)
InChIKeyAOXYCKFPAYQIEB-UHFFFAOYSA-N
XLogP1.31
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
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
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109016992) is N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is CN(C)CCCNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is AOXYCKFPAYQIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-22(2)12-4-10-21-19(25)9-11-20-17-5-7-18(8-6-17)24-15-13-23(3)14-16-24/h5-8,20H,4,9-16H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 347.51 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109016992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).