N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

C19H30N4O3 — CID 108944211

IUPACN-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)NCCCN(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-21(2)10-4-9-20-18(24)15-19(25)23-13-11-22(12-14-23)16-5-7-17(26-3)8-6-16/h5-8H,4,9-15H2,1-3H3,(H,20,24)
InChIKeyKRSHAZSOAHKRLV-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.80
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108944211) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108944211
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)NCCCN(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-21(2)10-4-9-20-18(24)15-19(25)23-13-11-22(12-14-23)16-5-7-17(26-3)8-6-16/h5-8H,4,9-15H2,1-3H3,(H,20,24)
InChIKeyKRSHAZSOAHKRLV-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
N-(3,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952778
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
N-ethyl-2-[ethyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433381

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (CID 108944211) is N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is COc1ccc(N2CCN(C(=O)CC(=O)NCCCN(C)C)CC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is KRSHAZSOAHKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21(2)10-4-9-20-18(24)15-19(25)23-13-11-22(12-14-23)16-5-7-17(26-3)8-6-16/h5-8H,4,9-15H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 362.47 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108944211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).