N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C25H29N3OS — CID 7110824

IUPACN-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3OS/c1-20(26-25(29)22-11-6-3-7-12-22)24(23-13-8-18-30-23)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2-13,18,20,24H,14-17,19H2,1H3,(H,26,29)/t20-,24-/m0/s1
InChIKeyNRFGFEROVBIHSJ-RDPSFJRHSA-N
MW419.59 g/mol
LogP4.43
Rot. Bonds7

About N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 7110824) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID7110824
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3OS/c1-20(26-25(29)22-11-6-3-7-12-22)24(23-13-8-18-30-23)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2-13,18,20,24H,14-17,19H2,1H3,(H,26,29)/t20-,24-/m0/s1
InChIKeyNRFGFEROVBIHSJ-RDPSFJRHSA-N
XLogP4.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181343
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 3245545
N-[(1R,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181337
N-[(1R,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110794
N-benzyl-N'-[(1R,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 30675335
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110760
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 6710461
4-chloro-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 126851837
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
N'-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92766668
N'-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 28821141
N-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 92665829

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 7110824) is N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is NRFGFEROVBIHSJ-RDPSFJRHSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-20(26-25(29)22-11-6-3-7-12-22)24(23-13-8-18-30-23)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2-13,18,20,24H,14-17,19H2,1H3,(H,26,29)/t20-,24-/m0/s1.
What are the key properties of N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 419.59 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 7110824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).