1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid

C14H22N2O3 — CID 114202670

IUPAC1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
SMILESC#CC(NCC(=O)N1CCC(C(=O)O)CC1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-4-12(10(2)3)15-9-13(17)16-7-5-11(6-8-16)14(18)19/h1,10-12,15H,5-9H2,2-3H3,(H,18,19)
InChIKeySCZKGKWAXZNGFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.56
Rot. Bonds5

About 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 114202670) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID114202670
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
SMILESC#CC(NCC(=O)N1CCC(C(=O)O)CC1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-4-12(10(2)3)15-9-13(17)16-7-5-11(6-8-16)14(18)19/h1,10-12,15H,5-9H2,2-3H3,(H,18,19)
InChIKeySCZKGKWAXZNGFY-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103264123
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-(2-methylbut-3-yn-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103252086
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103261509
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
CID 103242392
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid (CID 114202670) is 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid is C#CC(NCC(=O)N1CCC(C(=O)O)CC1)C(C)C.
What is the InChIKey of 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is SCZKGKWAXZNGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-12(10(2)3)15-9-13(17)16-7-5-11(6-8-16)14(18)19/h1,10-12,15H,5-9H2,2-3H3,(H,18,19).
What are the key properties of 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114202670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).