N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide

C18H23N3O2S — CID 97088860

IUPACN-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESCO[C@@H](C)c1cccc(NC(=O)N2CCN(c3cccs3)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-14(23-2)15-5-3-6-16(13-15)19-18(22)21-10-8-20(9-11-21)17-7-4-12-24-17/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyIMRVDWBPUZOGCS-AWEZNQCLSA-N
MW345.47 g/mol
LogP3.81
Rot. Bonds4

About N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide

N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 97088860) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID97088860
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESCO[C@@H](C)c1cccc(NC(=O)N2CCN(c3cccs3)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-14(23-2)15-5-3-6-16(13-15)19-18(22)21-10-8-20(9-11-21)17-7-4-12-24-17/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyIMRVDWBPUZOGCS-AWEZNQCLSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1S)-1-methoxyethyl]phenyl]-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 99823436
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 125458978
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
(3aS,7aS)-N-[3-[(1R)-1-methoxyethyl]phenyl]-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxamide
CID 97261303
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
CID 48643522
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-[3-(1-methoxyethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029796
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97073669

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide (CID 97088860) is N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide is CO[C@@H](C)c1cccc(NC(=O)N2CCN(c3cccs3)CC2)c1.
What is the InChIKey of N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is IMRVDWBPUZOGCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(23-2)15-5-3-6-16(13-15)19-18(22)21-10-8-20(9-11-21)17-7-4-12-24-17/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 97088860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).