N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C24H32N4O2 — CID 91668971

IUPACN-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCCCC4)n3)C2)cc1
InChIInChI=1S/C24H32N4O2/c1-18(25-19(2)29)20-9-11-21(12-10-20)30-22-13-16-28(17-22)24-8-6-7-23(26-24)27-14-4-3-5-15-27/h6-12,18,22H,3-5,13-17H2,1-2H3,(H,25,29)/t18-,22+/m0/s1
InChIKeyUOQXRCBDFWXDLZ-PGRDOPGGSA-N
MW408.55 g/mol
LogP3.93
Rot. Bonds6

About N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668971) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668971
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCCCC4)n3)C2)cc1
InChIInChI=1S/C24H32N4O2/c1-18(25-19(2)29)20-9-11-21(12-10-20)30-22-13-16-28(17-22)24-8-6-7-23(26-24)27-14-4-3-5-15-27/h6-12,18,22H,3-5,13-17H2,1-2H3,(H,25,29)/t18-,22+/m0/s1
InChIKeyUOQXRCBDFWXDLZ-PGRDOPGGSA-N
XLogP3.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668971) is N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCCCC4)n3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is UOQXRCBDFWXDLZ-PGRDOPGGSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18(25-19(2)29)20-9-11-21(12-10-20)30-22-13-16-28(17-22)24-8-6-7-23(26-24)27-14-4-3-5-15-27/h6-12,18,22H,3-5,13-17H2,1-2H3,(H,25,29)/t18-,22+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-(6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).