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

C15H28N2O3 — CID 61421852

IUPAC7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
SMILESCCC1CCN(C(=O)NCCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-2-13-8-11-17(12-9-13)15(20)16-10-6-4-3-5-7-14(18)19/h13H,2-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyNTMXBEZVVYVXSG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds8

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

7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid (PubChem CID 61421852) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
PubChem CID61421852
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
SMILESCCC1CCN(C(=O)NCCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-2-13-8-11-17(12-9-13)15(20)16-10-6-4-3-5-7-14(18)19/h13H,2-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyNTMXBEZVVYVXSG-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
7-(thiomorpholine-4-carbonylamino)heptanoic acid
CID 61200253
6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 62775914
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid (CID 61421852) is 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid is CCC1CCN(C(=O)NCCCCCCC(=O)O)CC1.
What is the InChIKey of 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid?
The InChIKey is NTMXBEZVVYVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-13-8-11-17(12-9-13)15(20)16-10-6-4-3-5-7-14(18)19/h13H,2-12H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid?
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 61421852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).