2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide

C14H19ClN4O2 — CID 61140773

IUPAC2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C14H19ClN4O2/c15-9-1-2-12(16)11(7-9)14(21)18-10-3-5-19(6-4-10)8-13(17)20/h1-2,7,10H,3-6,8,16H2,(H2,17,20)(H,18,21)
InChIKeyMHIUNFPXBHTFDG-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.60
Rot. Bonds4

About 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide

2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide (PubChem CID 61140773) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
PubChem CID61140773
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C14H19ClN4O2/c15-9-1-2-12(16)11(7-9)14(21)18-10-3-5-19(6-4-10)8-13(17)20/h1-2,7,10H,3-6,8,16H2,(H2,17,20)(H,18,21)
InChIKeyMHIUNFPXBHTFDG-UHFFFAOYSA-N
XLogP0.60
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
CID 134047749
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 46539519

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide?
The IUPAC name of 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide (CID 61140773) is 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide.
What is the SMILES notation for 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide?
The canonical SMILES for 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide is NC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2N)CC1.
What is the InChIKey of 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide?
The InChIKey is MHIUNFPXBHTFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-9-1-2-12(16)11(7-9)14(21)18-10-3-5-19(6-4-10)8-13(17)20/h1-2,7,10H,3-6,8,16H2,(H2,17,20)(H,18,21).
What are the key properties of 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide?
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide has a molecular weight of 310.79 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide is sourced from PubChem (CID 61140773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).