4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid

C13H25N3O3 — CID 79717421

IUPAC4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid
SMILESCN(CC(=O)NCCCC(=O)O)CC1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-16(9-11-4-7-14-8-5-11)10-12(17)15-6-2-3-13(18)19/h11,14H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyJWDVTBVIKXYAJQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.10
Rot. Bonds8

About 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid

4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid (PubChem CID 79717421) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid
PubChem CID79717421
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid
SMILESCN(CC(=O)NCCCC(=O)O)CC1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-16(9-11-4-7-14-8-5-11)10-12(17)15-6-2-3-13(18)19/h11,14H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyJWDVTBVIKXYAJQ-UHFFFAOYSA-N
XLogP-0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717424
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
2-[methyl(piperidin-4-ylmethyl)amino]-N-(oxan-4-yl)acetamide
CID 79716602
2-[methyl(piperidin-4-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 79716446
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063
4-[[2-[2-aminoethyl(methyl)amino]acetyl]amino]butanoic acid
CID 62687929
2-[ethyl(piperidin-4-ylmethyl)amino]-N-propylacetamide
CID 79716409
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
4-(piperidin-4-ylamino)butanoic acid
CID 61020779
4-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]butanoic acid
CID 115640990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid (CID 79717421) is 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid is CN(CC(=O)NCCCC(=O)O)CC1CCNCC1.
What is the InChIKey of 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid?
The InChIKey is JWDVTBVIKXYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-16(9-11-4-7-14-8-5-11)10-12(17)15-6-2-3-13(18)19/h11,14H,2-10H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid?
4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]butanoic acid is sourced from PubChem (CID 79717421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).