1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide

C14H20ClN3O2S — CID 97088653

IUPAC1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c1-9(11-3-4-12(15)21-11)17-14(20)18-7-5-10(6-8-18)13(19)16-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyJFBMJVHUJZPTJU-VIFPVBQESA-N
MW329.85 g/mol
LogP2.63
Rot. Bonds3

About 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide

1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 97088653) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
PubChem CID97088653
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c1-9(11-3-4-12(15)21-11)17-14(20)18-7-5-10(6-8-18)13(19)16-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyJFBMJVHUJZPTJU-VIFPVBQESA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46575630
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 87006494
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 55928878
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62037332
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide (CID 97088653) is 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide is CNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is JFBMJVHUJZPTJU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-9(11-3-4-12(15)21-11)17-14(20)18-7-5-10(6-8-18)13(19)16-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1.
What are the key properties of 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 329.85 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 97088653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).