N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide

C20H33N5O2 — CID 109016826

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCNCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C20H33N5O2/c1-23-10-12-25(13-11-23)19-4-2-18(3-5-19)22-20(26)6-7-21-8-9-24-14-16-27-17-15-24/h2-5,21H,6-17H2,1H3,(H,22,26)
InChIKeyMBLMQMKOPJWPRT-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.69
Rot. Bonds8

About N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016826) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016826
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCNCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C20H33N5O2/c1-23-10-12-25(13-11-23)19-4-2-18(3-5-19)22-20(26)6-7-21-8-9-24-14-16-27-17-15-24/h2-5,21H,6-17H2,1H3,(H,22,26)
InChIKeyMBLMQMKOPJWPRT-UHFFFAOYSA-N
XLogP0.69
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016791
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016826) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide is CN1CCN(c2ccc(NC(=O)CCNCCN3CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is MBLMQMKOPJWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-23-10-12-25(13-11-23)19-4-2-18(3-5-19)22-20(26)6-7-21-8-9-24-14-16-27-17-15-24/h2-5,21H,6-17H2,1H3,(H,22,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 375.52 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).