4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide

C14H20ClN3O2S — CID 51084665

IUPAC4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c15-12-2-1-11(21-12)3-6-17-14(20)18-7-4-10(5-8-18)9-13(16)19/h1-2,10H,3-9H2,(H2,16,19)(H,17,20)
InChIKeyOIGSJUTYHKGZRM-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.24
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 51084665) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID51084665
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c15-12-2-1-11(21-12)3-6-17-14(20)18-7-4-10(5-8-18)9-13(16)19/h1-2,10H,3-9H2,(H2,16,19)(H,17,20)
InChIKeyOIGSJUTYHKGZRM-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide (CID 51084665) is 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide is NC(=O)CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is OIGSJUTYHKGZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c15-12-2-1-11(21-12)3-6-17-14(20)18-7-4-10(5-8-18)9-13(16)19/h1-2,10H,3-9H2,(H2,16,19)(H,17,20).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 329.85 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 51084665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).