2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide

C20H31N5O2 — CID 92619680

IUPAC2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCC(=O)N1CCC[C@@H]1c1cc(N2CCN(CC(=O)N(C)C)CC2)cc(C)n1
InChIInChI=1S/C20H31N5O2/c1-15-12-17(13-18(21-15)19-6-5-7-25(19)16(2)26)24-10-8-23(9-11-24)14-20(27)22(3)4/h12-13,19H,5-11,14H2,1-4H3/t19-/m1/s1
InChIKeyIDQZURJWDMHGDJ-LJQANCHMSA-N
MW373.50 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 92619680) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID92619680
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCC(=O)N1CCC[C@@H]1c1cc(N2CCN(CC(=O)N(C)C)CC2)cc(C)n1
InChIInChI=1S/C20H31N5O2/c1-15-12-17(13-18(21-15)19-6-5-7-25(19)16(2)26)24-10-8-23(9-11-24)14-20(27)22(3)4/h12-13,19H,5-11,14H2,1-4H3/t19-/m1/s1
InChIKeyIDQZURJWDMHGDJ-LJQANCHMSA-N
XLogP1.28
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 92619680) is 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide is CC(=O)N1CCC[C@@H]1c1cc(N2CCN(CC(=O)N(C)C)CC2)cc(C)n1.
What is the InChIKey of 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is IDQZURJWDMHGDJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15-12-17(13-18(21-15)19-6-5-7-25(19)16(2)26)24-10-8-23(9-11-24)14-20(27)22(3)4/h12-13,19H,5-11,14H2,1-4H3/t19-/m1/s1.
What are the key properties of 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 373.50 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 92619680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).