1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid

C15H27N3O3 — CID 103268593

IUPAC1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC1CN(C)CCC1NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-11-10-17(2)6-5-13(11)16-9-14(19)18-7-3-12(4-8-18)15(20)21/h11-13,16H,3-10H2,1-2H3,(H,20,21)
InChIKeySIQLSAPDBJFYAM-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.24
Rot. Bonds4

About 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103268593) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103268593
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC1CN(C)CCC1NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-11-10-17(2)6-5-13(11)16-9-14(19)18-7-3-12(4-8-18)15(20)21/h11-13,16H,3-10H2,1-2H3,(H,20,21)
InChIKeySIQLSAPDBJFYAM-UHFFFAOYSA-N
XLogP0.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid
CID 2997325
4-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-4-oxobutanoic acid
CID 11943342
4-Oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butanoic acid
CID 134788754
5-Methyl-3-{[(piperidin-2-yl)formamido]methyl}hexanoic acid
CID 65493308
1-[2-(4,4,4-Trifluorobutan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 105942313
2-Methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
CID 113872636
1-[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 121925090
1-[(2S)-4-methyl-2-(2,2,2-trifluoroacetamido)pentanoyl]piperidine-4-carboxylic acid
CID 165934704
3-(2-Methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 9856956
1-[(2S)-2-acetamido-6-aminohexanoyl]piperidine-4-carboxylic acid
CID 11702147
4-(2-Oxopiperidin-1-yl)piperidine-4-carboxylic acid
CID 14338263
1-[2-(Cyclopentylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 17877893

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid (CID 103268593) is 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid is CC1CN(C)CCC1NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is SIQLSAPDBJFYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-10-17(2)6-5-13(11)16-9-14(19)18-7-3-12(4-8-18)15(20)21/h11-13,16H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103268593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).