phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate

C24H27N3O2S — CID 6710506

IUPACphenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N3O2S/c1-19(25-24(28)29-21-11-6-3-7-12-21)23(22-13-8-18-30-22)27-16-14-26(15-17-27)20-9-4-2-5-10-20/h2-13,18-19,23H,14-17H2,1H3,(H,25,28)
InChIKeyJFUMCMXUZNHAFC-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.79
Rot. Bonds6

About phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate

phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate (PubChem CID 6710506) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
PubChem CID6710506
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Namephenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N3O2S/c1-19(25-24(28)29-21-11-6-3-7-12-21)23(22-13-8-18-30-22)27-16-14-26(15-17-27)20-9-4-2-5-10-20/h2-13,18-19,23H,14-17H2,1H3,(H,25,28)
InChIKeyJFUMCMXUZNHAFC-UHFFFAOYSA-N
XLogP4.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
CID 28820776
N-[(1R,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 28821094
3-methyl-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 92665912
ethyl 2-oxo-2-[[(1R,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]amino]acetate
CID 51862586
2,6-difluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397245
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665916
4-chloro-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 126851837
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
4-methoxy-N-[(1S,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144088
N'-[(1R,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-2-ylmethyl)oxamide
CID 28821069
N-[(2-chlorophenyl)methyl]-N'-[(1R,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821090

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate (CID 6710506) is phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate is CC(NC(=O)Oc1ccccc1)C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate?
The InChIKey is JFUMCMXUZNHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-19(25-24(28)29-21-11-6-3-7-12-21)23(22-13-8-18-30-22)27-16-14-26(15-17-27)20-9-4-2-5-10-20/h2-13,18-19,23H,14-17H2,1H3,(H,25,28).
What are the key properties of phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate?
phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate has a molecular weight of 421.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 6710506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).