N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide

C16H23N3O2 — CID 63596753

IUPACN-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
SMILESCC(N)C1CCN(CC(=O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(17)13-7-9-19(10-8-13)11-15(20)18-16(21)14-5-3-2-4-6-14/h2-6,12-13H,7-11,17H2,1H3,(H,18,20,21)
InChIKeyNHUNFPNGSDEVCN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.00
Rot. Bonds4

About N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide

N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide (PubChem CID 63596753) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
PubChem CID63596753
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
SMILESCC(N)C1CCN(CC(=O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(17)13-7-9-19(10-8-13)11-15(20)18-16(21)14-5-3-2-4-6-14/h2-6,12-13H,7-11,17H2,1H3,(H,18,20,21)
InChIKeyNHUNFPNGSDEVCN-UHFFFAOYSA-N
XLogP1.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide
CID 65249716
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide?
The IUPAC name of N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide (CID 63596753) is N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide.
What is the SMILES notation for N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide?
The canonical SMILES for N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide is CC(N)C1CCN(CC(=O)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide?
The InChIKey is NHUNFPNGSDEVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(17)13-7-9-19(10-8-13)11-15(20)18-16(21)14-5-3-2-4-6-14/h2-6,12-13H,7-11,17H2,1H3,(H,18,20,21).
What are the key properties of N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide?
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide is sourced from PubChem (CID 63596753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).