N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide

C17H19Cl2N3OS — CID 25468861

IUPACN-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C17H19Cl2N3OS/c18-14-3-1-2-13(10-14)11-20-17(23)22-8-6-21(7-9-22)12-15-4-5-16(19)24-15/h1-5,10H,6-9,11-12H2,(H,20,23)
InChIKeyRFYKRAOQFNCDEL-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.08
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide

N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 25468861) has the molecular formula C17H19Cl2N3OS and a molecular weight of 384.33 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
PubChem CID25468861
Molecular FormulaC17H19Cl2N3OS
Molecular Weight384.33 g/mol
Exact Mass383.06
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C17H19Cl2N3OS/c18-14-3-1-2-13(10-14)11-20-17(23)22-8-6-21(7-9-22)12-15-4-5-16(19)24-15/h1-5,10H,6-9,11-12H2,(H,20,23)
InChIKeyRFYKRAOQFNCDEL-UHFFFAOYSA-N
XLogP4.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
4-(1,3-benzodioxol-5-ylmethyl)-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 110301206
4-[(5-chlorothiophen-2-yl)methyl]-N-[(3-cyanophenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111358832
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
CID 110357396
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 86912545
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
4-[(5-chlorothiophen-2-yl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17149156
N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8002128
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide (CID 25468861) is N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide is O=C(NCc1cccc(Cl)c1)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is RFYKRAOQFNCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3OS/c18-14-3-1-2-13(10-14)11-20-17(23)22-8-6-21(7-9-22)12-15-4-5-16(19)24-15/h1-5,10H,6-9,11-12H2,(H,20,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 25468861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).