4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide

C19H25N3O2S — CID 41217753

IUPAC4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-14(2)18(17-8-5-13-25-17)20-19(24)22-11-9-21(10-12-22)15-6-3-4-7-16(15)23/h3-8,13-14,18,23H,9-12H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyOXDWXCZAWIRMLT-SFHVURJKSA-N
MW359.50 g/mol
LogP3.68
Rot. Bonds4

About 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide

4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide (PubChem CID 41217753) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
PubChem CID41217753
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-14(2)18(17-8-5-13-25-17)20-19(24)22-11-9-21(10-12-22)15-6-3-4-7-16(15)23/h3-8,13-14,18,23H,9-12H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyOXDWXCZAWIRMLT-SFHVURJKSA-N
XLogP3.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 42934708
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 98790490
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111186202
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide (CID 41217753) is 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide is CC(C)[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
The InChIKey is OXDWXCZAWIRMLT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(2)18(17-8-5-13-25-17)20-19(24)22-11-9-21(10-12-22)15-6-3-4-7-16(15)23/h3-8,13-14,18,23H,9-12H2,1-2H3,(H,20,24)/t18-/m0/s1.
What are the key properties of 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 41217753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).