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

C19H37N3O2 — CID 56852422

IUPAC(3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CC(C)C)C1
InChIInChI=1S/C19H37N3O2/c1-15(2)10-20-19(23)18-9-17(12-21-5-7-24-8-6-21)13-22(14-18)11-16(3)4/h15-18H,5-14H2,1-4H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyKVXGNMJLBSLEHD-QZTJIDSGSA-N
MW339.52 g/mol
LogP1.68
Rot. Bonds7

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

(3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56852422) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56852422
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CC(C)C)C1
InChIInChI=1S/C19H37N3O2/c1-15(2)10-20-19(23)18-9-17(12-21-5-7-24-8-6-21)13-22(14-18)11-16(3)4/h15-18H,5-14H2,1-4H3,(H,20,23)/t17-,18-/m1/s1
InChIKeyKVXGNMJLBSLEHD-QZTJIDSGSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (CID 56852422) is (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CC(C)C)C1.
What is the InChIKey of (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KVXGNMJLBSLEHD-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(2)10-20-19(23)18-9-17(12-21-5-7-24-8-6-21)13-22(14-18)11-16(3)4/h15-18H,5-14H2,1-4H3,(H,20,23)/t17-,18-/m1/s1.
What are the key properties of (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N,1-bis(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56852422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).