4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide

C19H25N3O2S — CID 124606187

IUPAC4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)N[C@H](C)c2cccs2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15(18-8-5-13-25-18)20-19(23)22-11-9-21(10-12-22)14-16-6-3-4-7-17(16)24-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyZSGAZHGIBADPDG-OAHLLOKOSA-N
MW359.50 g/mol
LogP3.35
Rot. Bonds5

About 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide

4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide (PubChem CID 124606187) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide
PubChem CID124606187
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)N[C@H](C)c2cccs2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15(18-8-5-13-25-18)20-19(23)22-11-9-21(10-12-22)14-16-6-3-4-7-17(16)24-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyZSGAZHGIBADPDG-OAHLLOKOSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8687425
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119876135
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
N-[(2-methoxyphenyl)methyl]-N'-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820820
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide (CID 124606187) is 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide is COc1ccccc1CN1CCN(C(=O)N[C@H](C)c2cccs2)CC1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide?
The InChIKey is ZSGAZHGIBADPDG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15(18-8-5-13-25-18)20-19(23)22-11-9-21(10-12-22)14-16-6-3-4-7-17(16)24-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide?
4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 124606187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).