(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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Related Compounds

5-(butoxyamino)piperidine-2-carboxylic acid
CID 89304173
(2S,5R)-5-(butoxyamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,5R)-5-(butoxyamino)piperidine-2-carboxylic acid;hydrochloride
CID 163996261
(2S,5R)-5-(prop-2-enoxyamino)piperidine-2-carboxylic acid
CID 87217262
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
N-pentoxypiperidin-3-amine
CID 123747359
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
butyl 3-(cyclopropylamino)propanoate
CID 60649312
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
N-butoxypropanamide
CID 86250289
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
(2R,4R)-4-butoxypyrrolidine-2-carboxylic acid
CID 126667812

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).