N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide

C12H16ClN3O3 — CID 54923700

IUPACN-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
SMILESNC(=O)CN(C(=O)c1ccc(Cl)o1)C1CCNCC1
InChIInChI=1S/C12H16ClN3O3/c13-10-2-1-9(19-10)12(18)16(7-11(14)17)8-3-5-15-6-4-8/h1-2,8,15H,3-7H2,(H2,14,17)
InChIKeySNPDHMGQEAKVDL-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide

N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide (PubChem CID 54923700) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
PubChem CID54923700
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
SMILESNC(=O)CN(C(=O)c1ccc(Cl)o1)C1CCNCC1
InChIInChI=1S/C12H16ClN3O3/c13-10-2-1-9(19-10)12(18)16(7-11(14)17)8-3-5-15-6-4-8/h1-2,8,15H,3-7H2,(H2,14,17)
InChIKeySNPDHMGQEAKVDL-UHFFFAOYSA-N
XLogP0.61
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
CID 60801053
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-bromoethyl)-5-chloro-N-cyclopropylfuran-2-carboxamide
CID 106689937
N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 60801239
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
N-(4-aminocyclohexyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 79116022
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
2-[(5-chlorofuran-2-carbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]acetic acid
CID 128968650
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide (CID 54923700) is N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide is NC(=O)CN(C(=O)c1ccc(Cl)o1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide?
The InChIKey is SNPDHMGQEAKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-10-2-1-9(19-10)12(18)16(7-11(14)17)8-3-5-15-6-4-8/h1-2,8,15H,3-7H2,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 54923700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).