N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide

C20H31N3O2 — CID 95592894

IUPACN-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCCO3)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-16(2)22-10-12-23(13-11-22)18-8-6-17(7-9-18)20(24)21-15-19-5-3-4-14-25-19/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyYJOQWFPEUWNXMQ-LJQANCHMSA-N
MW345.49 g/mol
LogP2.52
Rot. Bonds5

About N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide

N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide (PubChem CID 95592894) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
PubChem CID95592894
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCCO3)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-16(2)22-10-12-23(13-11-22)18-8-6-17(7-9-18)20(24)21-15-19-5-3-4-14-25-19/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyYJOQWFPEUWNXMQ-LJQANCHMSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 95592893
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-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
4-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 2957974
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide (CID 95592894) is N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide is CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCCO3)cc2)CC1.
What is the InChIKey of N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The InChIKey is YJOQWFPEUWNXMQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(2)22-10-12-23(13-11-22)18-8-6-17(7-9-18)20(24)21-15-19-5-3-4-14-25-19/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 95592894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).