(2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide

C13H27N3O3 — CID 163551181

IUPAC(2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide
SMILESCCCCON[C@@H]1CC[C@@H](C(=O)NOCCC)NC1
InChIInChI=1S/C13H27N3O3/c1-3-5-9-19-15-11-6-7-12(14-10-11)13(17)16-18-8-4-2/h11-12,14-15H,3-10H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyNJEYWKMDTNJKAJ-NEPJUHHUSA-N
MW273.38 g/mol
LogP0.89
Rot. Bonds9

About (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide

(2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide (PubChem CID 163551181) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide
PubChem CID163551181
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name(2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide
SMILESCCCCON[C@@H]1CC[C@@H](C(=O)NOCCC)NC1
InChIInChI=1S/C13H27N3O3/c1-3-5-9-19-15-11-6-7-12(14-10-11)13(17)16-18-8-4-2/h11-12,14-15H,3-10H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyNJEYWKMDTNJKAJ-NEPJUHHUSA-N
XLogP0.89
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide (CID 163551181) is (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide is CCCCON[C@@H]1CC[C@@H](C(=O)NOCCC)NC1.
What is the InChIKey of (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide?
The InChIKey is NJEYWKMDTNJKAJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-3-5-9-19-15-11-6-7-12(14-10-11)13(17)16-18-8-4-2/h11-12,14-15H,3-10H2,1-2H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide?
(2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(butoxyamino)-N-propoxypiperidine-2-carboxamide is sourced from PubChem (CID 163551181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).