1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

C13H25N3O4 — CID 106112212

IUPAC1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCOC(CN)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H25N3O4/c1-20-11(9-14)13(19)16-6-3-10(4-7-16)12(18)15-5-2-8-17/h10-11,17H,2-9,14H2,1H3,(H,15,18)
InChIKeyDZXGZODBXXCZGO-UHFFFAOYSA-N
MW287.36 g/mol
LogP-1.30
Rot. Bonds7

About 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 106112212) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID106112212
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCOC(CN)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H25N3O4/c1-20-11(9-14)13(19)16-6-3-10(4-7-16)12(18)15-5-2-8-17/h10-11,17H,2-9,14H2,1H3,(H,15,18)
InChIKeyDZXGZODBXXCZGO-UHFFFAOYSA-N
XLogP-1.30
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 106112212) is 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is COC(CN)C(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is DZXGZODBXXCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-20-11(9-14)13(19)16-6-3-10(4-7-16)12(18)15-5-2-8-17/h10-11,17H,2-9,14H2,1H3,(H,15,18).
What are the key properties of 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of -1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 106112212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).