N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

C12H16Cl2N4O2 — CID 60801239

IUPACN-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESNC(=O)CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CCNCC1
InChIInChI=1S/C12H16Cl2N4O2/c13-8-5-9(17-11(8)14)12(20)18(6-10(15)19)7-1-3-16-4-2-7/h5,7,16-17H,1-4,6H2,(H2,15,19)
InChIKeyNGPJBPQRTYZZLY-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.00
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 60801239) has the molecular formula C12H16Cl2N4O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID60801239
Molecular FormulaC12H16Cl2N4O2
Molecular Weight319.19 g/mol
Exact Mass318.07
IUPAC NameN-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESNC(=O)CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CCNCC1
InChIInChI=1S/C12H16Cl2N4O2/c13-8-5-9(17-11(8)14)12(20)18(6-10(15)19)7-1-3-16-4-2-7/h5,7,16-17H,1-4,6H2,(H2,15,19)
InChIKeyNGPJBPQRTYZZLY-UHFFFAOYSA-N
XLogP1.00
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-oxo-N-piperidin-4-yl-1,3-dihydroimidazole-4-carboxamide
CID 54923699
N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
CID 54923700
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
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
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (CID 60801239) is N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is NC(=O)CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is NGPJBPQRTYZZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4O2/c13-8-5-9(17-11(8)14)12(20)18(6-10(15)19)7-1-3-16-4-2-7/h5,7,16-17H,1-4,6H2,(H2,15,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 319.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4,5-dichloro-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60801239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).