3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H28N4O3 — CID 41097092

IUPAC3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C([C@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1
InChIInChI=1S/C24H28N4O3/c29-23(27-14-16-31-17-15-27)22(18-6-2-1-3-7-18)26-12-10-19(11-13-26)28-21-9-5-4-8-20(21)25-24(28)30/h1-9,19,22H,10-17H2,(H,25,30)/t22-/m0/s1
InChIKeyIKIBJFSFJMPHEQ-QFIPXVFZSA-N
MW420.51 g/mol
LogP2.57
Rot. Bonds4

About 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 41097092) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID41097092
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C([C@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1
InChIInChI=1S/C24H28N4O3/c29-23(27-14-16-31-17-15-27)22(18-6-2-1-3-7-18)26-12-10-19(11-13-26)28-21-9-5-4-8-20(21)25-24(28)30/h1-9,19,22H,10-17H2,(H,25,30)/t22-/m0/s1
InChIKeyIKIBJFSFJMPHEQ-QFIPXVFZSA-N
XLogP2.57
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
3-[1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 40880204
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
3-[1-[1-(1,4-dioxan-2-yl)-2-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 56991270
2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
CID 127361433
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 41097092) is 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C([C@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1.
What is the InChIKey of 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is IKIBJFSFJMPHEQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23(27-14-16-31-17-15-27)22(18-6-2-1-3-7-18)26-12-10-19(11-13-26)28-21-9-5-4-8-20(21)25-24(28)30/h1-9,19,22H,10-17H2,(H,25,30)/t22-/m0/s1.
What are the key properties of 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 41097092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).