1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one

C23H30N4O2 — CID 53186207

IUPAC1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCc3ccnc(N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-19-2-5-21(6-3-19)25-10-12-27(13-11-25)23(28)7-4-20-8-9-24-22(18-20)26-14-16-29-17-15-26/h2-3,5-6,8-9,18H,4,7,10-17H2,1H3
InChIKeyRWWUPIVIDQRCAZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.51
Rot. Bonds5

About 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one

1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one (PubChem CID 53186207) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
PubChem CID53186207
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCc3ccnc(N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-19-2-5-21(6-3-19)25-10-12-27(13-11-25)23(28)7-4-20-8-9-24-22(18-20)26-14-16-29-17-15-26/h2-3,5-6,8-9,18H,4,7,10-17H2,1H3
InChIKeyRWWUPIVIDQRCAZ-UHFFFAOYSA-N
XLogP2.51
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186007
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 53185924
N-[(5-methylfuran-2-yl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186208
3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113075310
N-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186023
3-(2-morpholin-4-yl-4-pyridinyl)propan-1-amine
CID 83890126
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186040
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
3-(3-chloro-4-fluorophenyl)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122340900
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186075
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 83278597

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one?
The IUPAC name of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one (CID 53186207) is 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one?
The canonical SMILES for 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one is Cc1ccc(N2CCN(C(=O)CCc3ccnc(N4CCOCC4)c3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one?
The InChIKey is RWWUPIVIDQRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-19-2-5-21(6-3-19)25-10-12-27(13-11-25)23(28)7-4-20-8-9-24-22(18-20)26-14-16-29-17-15-26/h2-3,5-6,8-9,18H,4,7,10-17H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one?
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one has a molecular weight of 394.52 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one is sourced from PubChem (CID 53186207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).