N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide

C23H32N4O — CID 11303546

IUPACN-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1[C@@H](c2ncccc2C)CCC[C@H]1c1ncccc1C
InChIInChI=1S/C23H32N4O/c1-17-9-7-14-25-22(17)20-11-6-12-21(23-18(2)10-8-15-26-23)27(20)16-5-4-13-24-19(3)28/h7-10,14-15,20-21H,4-6,11-13,16H2,1-3H3,(H,24,28)/t20-,21+
InChIKeyDHNJBJLVHYBIGB-OYRHEFFESA-N
MW380.54 g/mol
LogP4.28
Rot. Bonds7

About N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide

N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide (PubChem CID 11303546) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
PubChem CID11303546
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1[C@@H](c2ncccc2C)CCC[C@H]1c1ncccc1C
InChIInChI=1S/C23H32N4O/c1-17-9-7-14-25-22(17)20-11-6-12-21(23-18(2)10-8-15-26-23)27(20)16-5-4-13-24-19(3)28/h7-10,14-15,20-21H,4-6,11-13,16H2,1-3H3,(H,24,28)/t20-,21+
InChIKeyDHNJBJLVHYBIGB-OYRHEFFESA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide (CID 11303546) is N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide is CC(=O)NCCCCN1[C@@H](c2ncccc2C)CCC[C@H]1c1ncccc1C.
What is the InChIKey of N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide?
The InChIKey is DHNJBJLVHYBIGB-OYRHEFFESA-N. The full InChI is InChI=1S/C23H32N4O/c1-17-9-7-14-25-22(17)20-11-6-12-21(23-18(2)10-8-15-26-23)27(20)16-5-4-13-24-19(3)28/h7-10,14-15,20-21H,4-6,11-13,16H2,1-3H3,(H,24,28)/t20-,21+.
What are the key properties of N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide?
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide has a molecular weight of 380.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide is sourced from PubChem (CID 11303546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).