N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide

C14H18ClN3O2 — CID 102985024

IUPACN-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
SMILESN[C@@H]1CCCN(CC(=O)NC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClN3O2/c15-12-6-2-1-5-11(12)14(20)17-13(19)9-18-7-3-4-10(16)8-18/h1-2,5-6,10H,3-4,7-9,16H2,(H,17,19,20)/t10-/m1/s1
InChIKeyAAKWZDOUCSGCJR-SNVBAGLBSA-N
MW295.77 g/mol
LogP1.02
Rot. Bonds3

About N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide

N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide (PubChem CID 102985024) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
PubChem CID102985024
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
SMILESN[C@@H]1CCCN(CC(=O)NC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClN3O2/c15-12-6-2-1-5-11(12)14(20)17-13(19)9-18-7-3-4-10(16)8-18/h1-2,5-6,10H,3-4,7-9,16H2,(H,17,19,20)/t10-/m1/s1
InChIKeyAAKWZDOUCSGCJR-SNVBAGLBSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-4-chlorobenzamide
CID 102985314
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide
CID 79874609
N-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]-2-bromobenzamide
CID 115302357
2-(3-aminopiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119910035
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
N-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]-2-chlorobenzamide
CID 66212217
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide (CID 102985024) is N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide is N[C@@H]1CCCN(CC(=O)NC(=O)c2ccccc2Cl)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide?
The InChIKey is AAKWZDOUCSGCJR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-6-2-1-5-11(12)14(20)17-13(19)9-18-7-3-4-10(16)8-18/h1-2,5-6,10H,3-4,7-9,16H2,(H,17,19,20)/t10-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide?
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide has a molecular weight of 295.77 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide is sourced from PubChem (CID 102985024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).