1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

C13H18ClN3O2S — CID 47277552

IUPAC1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H18ClN3O2S/c14-11-2-1-10(20-11)7-16-12(18)8-17-5-3-9(4-6-17)13(15)19/h1-2,9H,3-8H2,(H2,15,19)(H,16,18)
InChIKeyRNOKWJBENVQHNF-UHFFFAOYSA-N
MW315.83 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 47277552) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID47277552
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC Name1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H18ClN3O2S/c14-11-2-1-10(20-11)7-16-12(18)8-17-5-3-9(4-6-17)13(15)19/h1-2,9H,3-8H2,(H2,15,19)(H,16,18)
InChIKeyRNOKWJBENVQHNF-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 47277552) is 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NCc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RNOKWJBENVQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S/c14-11-2-1-10(20-11)7-16-12(18)8-17-5-3-9(4-6-17)13(15)19/h1-2,9H,3-8H2,(H2,15,19)(H,16,18).
What are the key properties of 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 315.83 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 47277552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).