(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide

C15H29N3O2 — CID 56854283

IUPAC(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H29N3O2/c1-2-3-4-17-15(19)14-9-13(10-16-11-14)12-18-5-7-20-8-6-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyNQLWIPYFQFDSPJ-UONOGXRCSA-N
MW283.42 g/mol
LogP0.46
Rot. Bonds6

About (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide

(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56854283) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56854283
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H29N3O2/c1-2-3-4-17-15(19)14-9-13(10-16-11-14)12-18-5-7-20-8-6-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyNQLWIPYFQFDSPJ-UONOGXRCSA-N
XLogP0.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Piperidinylcarbonyl)Morpholine
CID 1520211
3-(Piperidine-1-carbonyl)piperidin-2-one
CID 2912701
Ketone, piperidino 3-piperidyl
CID 218422
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 24790674
4-(Piperidine-4-carbonyl)morpholine hydrochloride
CID 2794689
4-(Piperidine-3-carbonyl)morpholine hydrochloride
CID 17552706
(3R)-3-(morpholine-4-carbonyl)-1,4'-bipiperidine dihydrochloride
CID 23589122
(3s)-Piperidin-3-Yl(Piperidin-1-Yl)methanone
CID 1532247
2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2165494
1-(methylsulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 3238772
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 4061658
3-N,3-N-diethyl-1-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
CID 172435150

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (CID 56854283) is (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is CCCCNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1.
What is the InChIKey of (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NQLWIPYFQFDSPJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-3-4-17-15(19)14-9-13(10-16-11-14)12-18-5-7-20-8-6-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56854283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).