1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide

C15H22ClN3O2S — CID 95568313

IUPAC1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H22ClN3O2S/c1-10(18(2)9-12-3-4-13(16)22-12)15(21)19-7-5-11(6-8-19)14(17)20/h3-4,10-11H,5-9H2,1-2H3,(H2,17,20)/t10-/m0/s1
InChIKeyRINZQFSKYVCDDE-JTQLQIEISA-N
MW343.88 g/mol
LogP1.95
Rot. Bonds5

About 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide

1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide (PubChem CID 95568313) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide
PubChem CID95568313
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H22ClN3O2S/c1-10(18(2)9-12-3-4-13(16)22-12)15(21)19-7-5-11(6-8-19)14(17)20/h3-4,10-11H,5-9H2,1-2H3,(H2,17,20)/t10-/m0/s1
InChIKeyRINZQFSKYVCDDE-JTQLQIEISA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
CID 110767679
2-[(5-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78793185
N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
1-[(5-chlorothiophen-2-yl)methyl]-1-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 51099427
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35706852
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38064329
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide (CID 95568313) is 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide is C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide?
The InChIKey is RINZQFSKYVCDDE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c1-10(18(2)9-12-3-4-13(16)22-12)15(21)19-7-5-11(6-8-19)14(17)20/h3-4,10-11H,5-9H2,1-2H3,(H2,17,20)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide?
1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide has a molecular weight of 343.88 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 95568313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).