(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide

C16H28N4O3 — CID 129425637

IUPAC(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12-9-20(11-14(12)18-5-7-23-8-6-18)15(21)13-3-2-4-19(10-13)16(17)22/h12-14H,2-11H2,1H3,(H2,17,22)/t12-,13+,14-/m1/s1
InChIKeyWVVKTZAQXQWXON-HZSPNIEDSA-N
MW324.43 g/mol
LogP-0.04
Rot. Bonds2

About (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide

(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 129425637) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID129425637
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1N1CCOCC1
InChIInChI=1S/C16H28N4O3/c1-12-9-20(11-14(12)18-5-7-23-8-6-18)15(21)13-3-2-4-19(10-13)16(17)22/h12-14H,2-11H2,1H3,(H2,17,22)/t12-,13+,14-/m1/s1
InChIKeyWVVKTZAQXQWXON-HZSPNIEDSA-N
XLogP-0.04
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 129425637) is (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide is C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1N1CCOCC1.
What is the InChIKey of (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is WVVKTZAQXQWXON-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12-9-20(11-14(12)18-5-7-23-8-6-18)15(21)13-3-2-4-19(10-13)16(17)22/h12-14H,2-11H2,1H3,(H2,17,22)/t12-,13+,14-/m1/s1.
What are the key properties of (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 129425637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).