N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide

C23H27N3O3 — CID 109045596

IUPACN-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c27-22(24-17-21-7-4-16-29-21)18-8-10-19(11-9-18)23(28)26-14-12-25(13-15-26)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,24,27)
InChIKeyIXMMOXUJHJVHET-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.56
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide

N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide (PubChem CID 109045596) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
PubChem CID109045596
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c27-22(24-17-21-7-4-16-29-21)18-8-10-19(11-9-18)23(28)26-14-12-25(13-15-26)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,24,27)
InChIKeyIXMMOXUJHJVHET-UHFFFAOYSA-N
XLogP2.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-[[(2S)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812050
N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812051
N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 54302049
4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 50800086
N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 95592894
N-[[(2S)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 95592893
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide (CID 109045596) is N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide is O=C(NCC1CCCO1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide?
The InChIKey is IXMMOXUJHJVHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(24-17-21-7-4-16-29-21)18-8-10-19(11-9-18)23(28)26-14-12-25(13-15-26)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109045596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).