1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

C15H27N3O3 — CID 66008357

IUPAC1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNC1CCC(C(=O)N2CCC(C(=O)NCCCO)CC2)C1
InChIInChI=1S/C15H27N3O3/c16-13-3-2-12(10-13)15(21)18-7-4-11(5-8-18)14(20)17-6-1-9-19/h11-13,19H,1-10,16H2,(H,17,20)
InChIKeyBIIWQXBVSOBXRC-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.15
Rot. Bonds5

About 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 66008357) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID66008357
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNC1CCC(C(=O)N2CCC(C(=O)NCCCO)CC2)C1
InChIInChI=1S/C15H27N3O3/c16-13-3-2-12(10-13)15(21)18-7-4-11(5-8-18)14(20)17-6-1-9-19/h11-13,19H,1-10,16H2,(H,17,20)
InChIKeyBIIWQXBVSOBXRC-UHFFFAOYSA-N
XLogP-0.15
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.15
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 66008357) is 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is NC1CCC(C(=O)N2CCC(C(=O)NCCCO)CC2)C1.
What is the InChIKey of 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is BIIWQXBVSOBXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c16-13-3-2-12(10-13)15(21)18-7-4-11(5-8-18)14(20)17-6-1-9-19/h11-13,19H,1-10,16H2,(H,17,20).
What are the key properties of 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 66008357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).