(3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide

C19H37N3O2 — CID 56856924

IUPAC(3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CC(C)C)C1
InChIInChI=1S/C19H37N3O2/c1-4-5-6-20-19(23)18-11-17(13-21-7-9-24-10-8-21)14-22(15-18)12-16(2)3/h16-18H,4-15H2,1-3H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyPCVYOECLPLEWMC-QZTJIDSGSA-N
MW339.52 g/mol
LogP1.83
Rot. Bonds8

About (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide

(3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56856924) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56856924
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CC(C)C)C1
InChIInChI=1S/C19H37N3O2/c1-4-5-6-20-19(23)18-11-17(13-21-7-9-24-10-8-21)14-22(15-18)12-16(2)3/h16-18H,4-15H2,1-3H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyPCVYOECLPLEWMC-QZTJIDSGSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Piperidinylcarbonyl)Morpholine
CID 1520211
N-(3-morpholin-4-ylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-3-carboxamide
CID 22552977
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 24790674
N-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791144
4-(Piperidine-3-carbonyl)morpholine hydrochloride
CID 17552706
(3R)-3-(morpholine-4-carbonyl)-1,4'-bipiperidine dihydrochloride
CID 23589122
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
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11912271
1'-isopropyl-N-[(3-methyl-3-oxetanyl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 45206036
3-N,3-N-diethyl-1-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
CID 172435150
3-N,3-N-diethyl-1-N-(2-morpholin-4-ylethyl)piperidine-1,3-dicarboxamide
CID 172437921

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (CID 56856924) is (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CC(C)C)C1.
What is the InChIKey of (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PCVYOECLPLEWMC-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-5-6-20-19(23)18-11-17(13-21-7-9-24-10-8-21)14-22(15-18)12-16(2)3/h16-18H,4-15H2,1-3H3,(H,20,23)/t17-,18-/m1/s1.
What are the key properties of (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-butyl-1-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56856924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).