3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide

C14H19ClN4O2 — CID 79322473

IUPAC3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)CN2CCC(N)CC2)c1
InChIInChI=1S/C14H19ClN4O2/c15-11-2-1-9(14(17)21)7-12(11)18-13(20)8-19-5-3-10(16)4-6-19/h1-2,7,10H,3-6,8,16H2,(H2,17,21)(H,18,20)
InChIKeySBPJODILSGGPNH-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.80
Rot. Bonds4

About 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide (PubChem CID 79322473) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
PubChem CID79322473
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)CN2CCC(N)CC2)c1
InChIInChI=1S/C14H19ClN4O2/c15-11-2-1-9(14(17)21)7-12(11)18-13(20)8-19-5-3-10(16)4-6-19/h1-2,7,10H,3-6,8,16H2,(H2,17,21)(H,18,20)
InChIKeySBPJODILSGGPNH-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701
4-chloro-3-[[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]benzoic acid
CID 115965515
4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
CID 43659203
2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 107680442
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119905192
4-chloro-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]benzoic acid
CID 43659200
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide?
The IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide (CID 79322473) is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide.
What is the SMILES notation for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide?
The canonical SMILES for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide is NC(=O)c1ccc(Cl)c(NC(=O)CN2CCC(N)CC2)c1.
What is the InChIKey of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide?
The InChIKey is SBPJODILSGGPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-2-1-9(14(17)21)7-12(11)18-13(20)8-19-5-3-10(16)4-6-19/h1-2,7,10H,3-6,8,16H2,(H2,17,21)(H,18,20).
What are the key properties of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide?
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide has a molecular weight of 310.79 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide is sourced from PubChem (CID 79322473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).