7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid

C15H28N2O4 — CID 106836825

IUPAC7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
SMILESCC(O)C1CCN(C(=O)NCCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-12(18)13-7-10-17(11-8-13)15(21)16-9-5-3-2-4-6-14(19)20/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyFONVDGGNAZWNLK-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.82
Rot. Bonds8

About 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid

7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid (PubChem CID 106836825) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
PubChem CID106836825
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
SMILESCC(O)C1CCN(C(=O)NCCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-12(18)13-7-10-17(11-8-13)15(21)16-9-5-3-2-4-6-14(19)20/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyFONVDGGNAZWNLK-UHFFFAOYSA-N
XLogP1.82
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 111438886
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 62775914
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid (CID 106836825) is 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid is CC(O)C1CCN(C(=O)NCCCCCCC(=O)O)CC1.
What is the InChIKey of 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid?
The InChIKey is FONVDGGNAZWNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(18)13-7-10-17(11-8-13)15(21)16-9-5-3-2-4-6-14(19)20/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid?
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 106836825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).