N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide

C17H25N3O3 — CID 91766537

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-19-7-9-20(10-8-19)14-4-2-13(3-5-14)17(22)18-15-6-11-23-12-16(15)21/h2-5,15-16,21H,6-12H2,1H3,(H,18,22)/t15-,16-/m1/s1
InChIKeyYBMOORTZKUAWDI-HZPDHXFCSA-N
MW319.40 g/mol
LogP0.32
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 91766537) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID91766537
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-19-7-9-20(10-8-19)14-4-2-13(3-5-14)17(22)18-15-6-11-23-12-16(15)21/h2-5,15-16,21H,6-12H2,1H3,(H,18,22)/t15-,16-/m1/s1
InChIKeyYBMOORTZKUAWDI-HZPDHXFCSA-N
XLogP0.32
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 91768649
N-[(3S,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 155913999
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177376836
N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide
CID 150354881
N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191
N-[(2R)-5-methoxy-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 54462702
N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 143609284
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
CID 164630095
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 91766537) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc2)CC1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is YBMOORTZKUAWDI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19-7-9-20(10-8-19)14-4-2-13(3-5-14)17(22)18-15-6-11-23-12-16(15)21/h2-5,15-16,21H,6-12H2,1H3,(H,18,22)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 319.40 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 91766537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).