2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide

C22H34N4O3 — CID 87677657

IUPAC2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide
SMILES[2H]C(C(=O)N(CC1CCNCC1)c1ccc(N2CCOCC2)nc1)C1CCOCC1
InChIInChI=1S/C22H34N4O3/c27-22(15-18-5-11-28-12-6-18)26(17-19-3-7-23-8-4-19)20-1-2-21(24-16-20)25-9-13-29-14-10-25/h1-2,16,18-19,23H,3-15,17H2/i15D
InChIKeyDHANIAAZBMNWTH-RWFJLFJASA-N
MW403.55 g/mol
LogP2.07
Rot. Bonds6

About 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide

2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 87677657) has the molecular formula C22H34N4O3 and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide
PubChem CID87677657
Molecular FormulaC22H34N4O3
Molecular Weight403.55 g/mol
Exact Mass403.27
IUPAC Name2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide
SMILES[2H]C(C(=O)N(CC1CCNCC1)c1ccc(N2CCOCC2)nc1)C1CCOCC1
InChIInChI=1S/C22H34N4O3/c27-22(15-18-5-11-28-12-6-18)26(17-19-3-7-23-8-4-19)20-1-2-21(24-16-20)25-9-13-29-14-10-25/h1-2,16,18-19,23H,3-15,17H2/i15D
InChIKeyDHANIAAZBMNWTH-RWFJLFJASA-N
XLogP2.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide (CID 87677657) is 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide is [2H]C(C(=O)N(CC1CCNCC1)c1ccc(N2CCOCC2)nc1)C1CCOCC1.
What is the InChIKey of 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is DHANIAAZBMNWTH-RWFJLFJASA-N. The full InChI is InChI=1S/C22H34N4O3/c27-22(15-18-5-11-28-12-6-18)26(17-19-3-7-23-8-4-19)20-1-2-21(24-16-20)25-9-13-29-14-10-25/h1-2,16,18-19,23H,3-15,17H2/i15D.
What are the key properties of 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide?
2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 403.55 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 87677657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).