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

C15H29N3O2 — CID 56856773

IUPAC(3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H29N3O2/c1-12(2)8-17-15(19)14-7-13(9-16-10-14)11-18-3-5-20-6-4-18/h12-14,16H,3-11H2,1-2H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyBFKLMACPUMFCBF-UONOGXRCSA-N
MW283.42 g/mol
LogP0.32
Rot. Bonds5

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

(3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56856773) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56856773
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H29N3O2/c1-12(2)8-17-15(19)14-7-13(9-16-10-14)11-18-3-5-20-6-4-18/h12-14,16H,3-11H2,1-2H3,(H,17,19)/t13-,14+/m0/s1
InChIKeyBFKLMACPUMFCBF-UONOGXRCSA-N
XLogP0.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (CID 56856773) is (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1.
What is the InChIKey of (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is BFKLMACPUMFCBF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)8-17-15(19)14-7-13(9-16-10-14)11-18-3-5-20-6-4-18/h12-14,16H,3-11H2,1-2H3,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56856773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).