N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide

C18H36N4O2 — CID 23599854

IUPACN-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide
SMILESCC(CCCCNC(=O)CCCCCN)NC(=O)C1CCCCN1
InChIInChI=1S/C18H36N4O2/c1-15(22-18(24)16-10-5-8-13-20-16)9-4-7-14-21-17(23)11-3-2-6-12-19/h15-16,20H,2-14,19H2,1H3,(H,21,23)(H,22,24)
InChIKeyOQEUUFVWQQIURW-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.44
Rot. Bonds12

About N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide

N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide (PubChem CID 23599854) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide
PubChem CID23599854
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC NameN-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide
SMILESCC(CCCCNC(=O)CCCCCN)NC(=O)C1CCCCN1
InChIInChI=1S/C18H36N4O2/c1-15(22-18(24)16-10-5-8-13-20-16)9-4-7-14-21-17(23)11-3-2-6-12-19/h15-16,20H,2-14,19H2,1H3,(H,21,23)(H,22,24)
InChIKeyOQEUUFVWQQIURW-UHFFFAOYSA-N
XLogP1.44
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide (CID 23599854) is N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide is CC(CCCCNC(=O)CCCCCN)NC(=O)C1CCCCN1.
What is the InChIKey of N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide?
The InChIKey is OQEUUFVWQQIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-15(22-18(24)16-10-5-8-13-20-16)9-4-7-14-21-17(23)11-3-2-6-12-19/h15-16,20H,2-14,19H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide?
N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 1.44, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 23599854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).