[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone

C16H30N4O — CID 170144874

IUPAC[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
SMILESCC1(C)CNC[C@@H]1C(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C16H30N4O/c1-16(2)12-18-11-14(16)15(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h13-14,17-18H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyLQXAPMCLASGKSZ-CQSZACIVSA-N
MW294.44 g/mol
LogP0.13
Rot. Bonds2

About [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone

[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone (PubChem CID 170144874) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
PubChem CID170144874
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
SMILESCC1(C)CNC[C@@H]1C(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C16H30N4O/c1-16(2)12-18-11-14(16)15(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h13-14,17-18H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyLQXAPMCLASGKSZ-CQSZACIVSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone (CID 170144874) is [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone is CC1(C)CNC[C@@H]1C(=O)N1CCN(C2CCNCC2)CC1.
What is the InChIKey of [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LQXAPMCLASGKSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N4O/c1-16(2)12-18-11-14(16)15(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h13-14,17-18H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone?
[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 170144874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).